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Invited Lectures at International/National Conferences & Seminars


469. Invited talk on “Development of open-source drug discovery software” for the ADDMC-23 workshop 9-10th March 2023 at Dept. of Medicinal Chemistry, NIPER Guwahati, 9th March, 2023.

468. Invited talk on “Molecular Property Diagnostic Suite: A contribution towards strengthening open-source drug discovery” at International Conference on Systems and Processes in Physics, Chemistry and Biology (ICSPPCB - 2023), Assam University, Silchar, 4th March, 2023.

467. Keynote address as a chief guest at international conference on recent advances in materials chemistry and catalysis organized by department of chemistry, Dibrugarh university, 1st March, 2023.

466. Invited talk as a chief guest on “Global Science for Global Wellbeing” at Bunny’s Fantasy World School on the occasion of national science day, 28th February, 2023.

465. Invited talk on the occasion of National Science Day at North Lakhimpur (Auto) College,27th February, 2023.

464. Invited lecture on “Collaborations and Team Work” at the Sir SS Bhatnagar birth anniversary memorial lecture, CSIR-IMMT, 21st February,2023.

463. Guest of Honour for the Inaugural Function and keynote address at Faculty Development Program (FDP) on the topic “Innovative Methods, Skills and Eco-Friendly Technologies for Quality and Impactful Research” at AMITY University Haryana, January 30, 2023.

462. Inaugural lecture on “Industry 5.0 Driven Cross Disciplinary Approach to achieve One Health” by Royal Society of Chemistry- BCKIC Joint Symposium on health and Well-Being at KIIT university, Bhubaneswar, January 31, 2023.


461. Delivered keynote address on “Nurturing the talent of child scientists for the benefit of the country” at the inaugural function of 30th state level national children’s science congress, 2022, 17th December, 2022.

460. Invited lecture on “Use of Artificial Intelligence in Bio-technology and Bio-economy” organized by DBT-APSCS&T Skill Vigyan program centre of excellence for BRSD, 06th December, 2022.

459. Plenary lecture on “Rational Catalysis Design” at Designing Catalysts on Computers – 2022, Indian Association for the Cultivation of Science, 02nd December, 2022

458. Invited lecture on “Data Mining from Biological Databases: An Important Step in Drug Discovery and Development” organized by Bioinformatics Centre (Sponsored by DBT, Govt. of India), Department of Pharmaceutical Science and Drug Research, Punjabi University, Patiala, 25th November, 2022.

457. Invited lecture on “Cooperativity of non-covalent interaction” at National Symposium on Recent Advances in Chemistry Theoretical and Computational Aspects (RAC-TCA 2022), 20th November, 2022.

456. Keynote lecture on “Modelling and Machine Learning in Life Sciences and Engineering” at international conference on bioengineering and biosciences, School of Bioengineering and Biosciences, Lovely Professional University, 18th November, 2022.

455. Plenary talk at Kaziranga university, ALIST & NESID, 16th November, 2022.

454. Keynote lecture on “Collaborative Science for Technology and Leadership” at Kaziranga university, ALIST & NESID, 15th November, 2022.

453. Invited lecture on “Modelling and Machine Learning in Drug Discovery” at National workshop on Drug discovery 2022, Institute of Life Sciences (ILS), Bhubaneswar 14th November, 2022.14th November, 2022.

452. Invited talk on “The role of Mathematics, Statistics, and Computers on the Evolution of our Understanding on the Disease, Health and Drugs” at NIPER-PHARMACON 2022, Mohali, 12th November, 2022.

451. Chaired a session and guest of honor at International Conference on Drug Discovery 2022 by Schrodinger and BITS-Pilani Goa, 10-11th November, 2022.

450. Invited speaker and chairperson at 14th Annual Meeting of the Proteomics Society India and International Conference on Proteins & Proteomics CSIR-IICB Kolkata, 3-6 November, 2022.

449. Keynote lecture on “The Role of Mathematics, Statistics and Computers on the Evolution of our Understanding on the Disease, Health and Drugs”, at Vignan university Inbix’22, 02 November, 2022.

448. Talk on “AI and ML for Industry 5.0 (computation in general)” at CSIR-Director’s meet, 28th and 29th October, 2022.

447. Plenary lecture on “Mathematical Modelling, molecular modelling, informatics and data science application in natural science” at 11th International conference on Industrial Tribology, IIT Delhi, 27th September, 2022.

446. Plenary Lecture on “A Comparison of Molecular Modeling, Mathematical Modeling and Machine Learning Approaches to predict Toxicity” at 8th Indo-US Workshop on Mathematical Chemistry 2022, on 17th September, 2022.

445. Talk on “Collaborative Research for Clusters of Excellence” on the occasion of Marching from Diamond to Platinum at CSIR-NEIST, Jorhat, Assam on 15th September 2022.

444. Inauguration of two day “Capacity building Training Program on Intellectual Property Rights and Clinical Trials” organized at CSIR-NEIST BioNEST Bio incubator, CSIR-NEIST, Jorhat, Assam in collaboration with KIIT-TBI Bhubaneswar, Odisha on 8-9 September 2022.

443. Foundation Day special lecture on “Knowledge Sharing and Nation Building on 29th Foundation Day celebration of Nagaland University, 6th September 2022.

442. Invited lecture on “Artificial Intelligence in Natural Sciences” at Sasar Sadon, Sikkim University on 26th August.

441. Prof. Sripati Pani Memorial Endowment Lecture-2022, Sambalpur University, Jyoti Vihar, Odisha on “What Computers did to Drug Discovery in Recent Times”, 8th August, 2022.

440. Invited talk on “Molecular Property Diagnostic Suite (MPDS)” at Indian Institute of Technology (IIT), Hyderabad, July 2022.

439. Convocation address as "Chief Guest" in 20th Convocation of Dibrugarh University, Dibrugarh, 28 June 2022.

438. Plenary lecture on “Models, Modeling and Informatics in deciphering the structure-(re)activity relationships” Symposium on Chemical Education in Self Reliance: A global Perspective organized by CSIR-NEIST and Royal Society of Chemistry, 25th June 2022.

437. Foundation day celebrations at kaziranga University, Jorhat, 14 June 2022.

436. National Seminar and Student Research Conclave on "Issues and Challenges of Environment Safe For Sustainable Development under the theme Only One Earth: Together We can Protect it" at Jorhat Kendriya Mahavidyalaya, 5 - 7 June 2022.

435. International Congress and Expo, Indore, 26-28 May 2022.

434. Plenary Lecture on “the status of the computer-aided drug Design: then, now and future” at XXVIII Symposium on Bioinformaticsand Computer-Aided Drug Discovery, Institute of Biomedical Chemistry, Moscow, Russia, 24-26 May 2022.

433. Governor’s Award for Excellence to Meritorious Students 2021, at Cotton University, 21st May 2022.

432. Co-Coordinator, North East Research Conclave, Indian Institute of Technology Guwahati, May 20-22, 2022.

431. 9th International Congress of Society for Ethnopharmacology, India (SFE - India) JSS Academy of Higher Education & Research Campus, Mysuru, India, April 22 -24, 2022

430. Frontier Symposium in Chemistry, FS-CHM at IISER Trivandrum, April 8 – 10, 2022.

429. Virtual Seminar on Trends in Computational Chemistry, at CSIR CLRI, 25 March 2022

428. Telangana University, Nizamabad, March 25, 2022.

427. National Science Day function NCL Pune, February 28, 2022

426. National webinar on Business Opportunities in Millet Processing, February 11, 2022.

425. INSA- Foreign Fellow's Seminar by Professor Prof. Chennupati Jagadish-Semiconductor Nanostructures for Optoelectronics Applications, February 2, 2022.

424. Advanced Drug Design and Medicinal Chemistry 2022 (ADDMC-2022), February 2 - 4, 2022, NIPER Guwahati.

423. Memorial Lecture at Assam Academic Centre, Jorhat Dr Kamal Chandra Barthakur Memorial Education, Jorhat, January 6, 2022.

422. Chemical Research Society of India at IIT Guwahati, 2022

421. Durga school, 2022

420. CSIR- Jigyasa Vigyan Mahotsav 2022

419. Special Recognition Award-2022 in 9th International Congress of the Society for Ethnopharmacology (SFEC-2022), Mysuru, Karnataka, India, 28-31 May 2022


418. National webinar on Neoteric Advances in Chemical Sciences, December 30, 2021.

417. Indian Chemical and Engineering Congress and 74th Annuals session of Indian Institute of Chemical Engineers, CHEMCON-2021 at Bhubaneshwar, December 27 - 30, 2021

416. Attended Brain storming conclave on Atmanirbhar North East at North East Centre for Technology Application and Reach (NECTAR), Cotton University, Guwahati, Assam, December 21 - 22, 2021.

415. Webinar: USISTEF-U. S-Indian Science and Technology Endowment Fund. December 16, 2021.

414. “Bioinformatics& Drug Discovery”, Pondicherry University, December 14, 2021.

413. D. M. Bose Memorial Lecture 2021 of Bose Institute on November 26, 2021

412. INBIX2021: Indian Conference on Bioinformatics 2021 (InBix2021), CSIR - North East Institute of Science and Technology Jorhat, Assam, India, November 11-13, 2021.

411. Department of Computational Biology at Indraprastha Institute of Information Technology Delhi (IIIT-D), alongside APbians (Bioinformatics Society), organizing a Health Informatics Summit from October 16 – 19, 2021.

410. "Artificial Intelligence in the Context of CSIR Technology Development", October 6, 2022

409. Drug Discovery Hackathon, October 1, 2021.

408. CSIR-HRDC ‘Prof. O.N. Srivastava Memorial Lectures’ on September 29, 2021

407. CSIR-HRDC 'CSIR Young Scientist Awardees Conference' on September 27, 2021

406. Azadi ka Amrit Mahotsav ("Vigyan Utsav") Theme: "STI Institutions at the State Level" , organised by ASTEC, September 14, 2021

405. Webinar on Invited speaker National Conference on Computational and Biochemical Drug Discovery [NCCBDD-2021], IIT, BHU, September 11, 2021

404. “Machine learning approaches for ADMET modelling”; workshop on Computer assisted formulation development and ADMET prediction, Punjabi University, Patiala, September 6, 2021

403. Computer-assisted formulation development and ADMET prediction” Punjabi University, Patiala, September 6, 2021

402. “Empowering FPOs for Agri-Exports” by BIRD, Lucknow on August 23, 2021

401. Webinar on Artificial Intelligence in Drug Discovery Research (AIDDR-2021), CSIR-CDRI, Lucknow, August 13, 2021

400. QIP (Pharmacy) Centre, Department of Pharmaceutical Technology, Jadavpur University, Kolkata, August 2, 2021

399. Chemical Biology Virtual Symposium, July 23, 2021

398. Webinar organized by WHO on Human Genome Editing, July 14, 2021

397. International Conference in Geosciences with focus on Climate Change (ICGCC-2021), MLSU, Udaipur, Rajasthan, July 10, 2021

396. 15th National Frontiers of Engineering Symposium, July 9, 2021

395. NIPGR-webinar series, “Computational Biology & Bioinformatics” titled “Predictive Modelling & AI for Biodiversity”, June 22, 2021

394. National e-Workshop on Innovation and Intellectual Property Rights, June 19, 2021

393. “Stuff Matters in STEM” in Bharat Institute of Engineering and Technology, Ibrahimpatnam, Hyderabad; session on “Prototype validation- converting prototype into Start-up”, July 22, 2021

392. ‘Challenges and Bottlenecks for Indian Academica and Industry’ in Computational Drug Discovery at Royal Global University, Guwahati, July 1, 2021

391. Webinar on “S&T interventions in medicinal & aromatic plants” April 2, 2021

390. International Workshop, MMTT-2021, NIPER Guwahati, January 11, 2021

389. Interactive session with scientist of Arunachal College State Council for Science and Technology at Science Centre, Arunachal Pradesh, 2021

388. Interactive session with scientist of DBT, Centre for Excellence for Bioresearch and Sustainable Development, KIMIN, Arunachal Pradesh, 2021

387. Department of Chemistry, Guwahati University, 2021

386. Sir C.V Raman Foundation Day lecture at Institute of Advanced Study in Science and Technology, 2021

385. Motivational talk with students of Computer Science and Engineering, Dibrugarh, 2021

384. Motivational talk with students of Petroleum Technology, Dibrugarh, 2021

383. Talk on Current trends of Chemistry at Physical Science Department, Dibrugarh, 2021

382. National Institute of Design, Jorhat, 2021

381. BioNEST inaugural program at NEHU, Tura campus, 2021

380. “AI and ML for Chemoinformatic” at Royal Global University, 2021

379. The role of Science and Technology in the time of War, Pandemic and Natural Disaster, G N Sastry, coordinated: BG Unni, north east chapter, NASI, 2020-21

378. CSIR-CLRI Outreach Program for IISF 2021


377. Popular lecture CRISPR/CAS9 – A Powerful tool for Genome Editing, IIT Indore, December 21, 2020

376. Invited speaker: Bio-diversity, prospecting, resource and economy a bird’s Eye view, International Webinar Series at Institute of Bioresource and Sustainable Development (IBSD), 5 Dec 2020

375. Keynote: Understanding Relationships between Infection and Immunity: Role of Modeling and Informatics, InSyb’20, December 21, 2020

374. Plenary: AI as a tool for Drug Discovery, Faculty Development Program on Drug Discovery using AI, (DDUAI), NIPER Kolkata, 7 Dec 2020

373. Speaker at Curtain Raiser Event”, 6th (IISF), CSIR-NEIST, November 27, 2020

372. Plenary: 5th International Symposium of Quantum Beam Science, Ibaraki University, 21 Nov 2020

371. Keynote: Exploring Chemical Space, National e-Seminar On Chemistry in Emerging Trends of Interdisciplinary Research, Nagaland University, November 18, 2020

370. Plenary: Session 5th North East Green Submit November 16-18, 2020

369. Invited Talk: Artificial Intelligence in Advancing Health and environmental research, 6th International Toxicology Conclave, CSIR-IITR Luknow, November 5 2020

368. Delivered"GNS @ 9 PM" lecture at CSIR-SRTP, Lecture 1:, 2020

368. Delivered "GNS @ 9 PM" lecture at CSIR-SRTP, Lecture 2:, 2020

367. Delivered "GNS @ 9 PM" lecture at CSIR-SRTP, Lecture 3:, 2020

366. Delivered "GNS @ 9 PM" lecture at CSIR-SRTP, Lecture 4:, 2020

365. Delivered "GNS @ 9 PM" lecture at CSIR-SRTP, Lecture 5:,2020

364. Talk on ‘Artificial Intelligence as a tool for Drug Discovery’ at Drug Discovery Hackathon, 2020

363. Talk on ‘Mathematics and Biology’ at Drug Discovery Hackathon, 2020

362. Invited speaker Drug Discovery Using AI, INIPER Kolkata 2020

361. Invited speaker ISQBS, Ibaraki University, 2020

360. Invited Speaker BITS Hyderabad, Schrodinger-ICDD 2020

359. Invited speaker: Computer Aided Drug Design (CADD), Indian Pharmacological Society Pharmacology Webinar Series, September 26, 2020

358. Invited speaker: Drug and vaccine discovery during pandemics, NIT, Raipur, 24 Aug 2020

357. Invited speaker: Mathematics and Biology, DDH 2020Training Program, CSIR-NEIST, 13 July 2020

356. Invited speaker on ‘Research Funding for Science’ at webinar on Research Methodology, Loyola College Chennai, July 17, 2020

355. Webinar Lecture series on the theme “Research in Public and Private Funded Institutions: Its Societal Impact” from June 22 - 26, 2020

354. Invited speaker: Building collaboration, Faculty Development programme at KIIT, Bhubaneswar, June 26, 2020

353. Invited talk on Role of Science and Technology in the times of wars, pandemics and natural disasters, Mizoram University, Aizawl, June 8, 2020

352. Series of lecture in SRTP-2020: In SRTP 2020, for a period of one month Dr. Sastry has delivered lecture under the theme of drug discovery process, drug development, computer aided drug design and theoretical chemistry

351. Invited Speaker: Molecular Property Diagnostic Suite, a quest towards indigenous disease specific web portals, BITS Hyderabad, Schrodinger-ICDD 2020, February 29, 2020

350. Interaction with teaching staff of Central horticulture and Forestry College, Pashighat, Arunachal Pradesh, 2020

349. Motivational talk with students of Central horticulture and Forestry College, Pashighat, Arunachal Pradesh, 2020

348. PIB Guwahati organized Webinar on “IISF 2020: Science and Atmanirbhar Bharat

347. DBT India Alliance was held at M S Iyengar Hall, CSIR-NEIST on February 4, 2020


346. Delivered a Science Motivational Lecture and interacted with school students during the programme entitled "Interaction of Child Scientists with Scientists" at 27th State Level National Children Science Congress" held at JNV, Rangajan, Tinsukia on November1, 2019.

345. Fourth world congress of theoretically oriented chemists – WATOC ’96, Jerusalem, Israel July 1996 “Machine Learning for Science: Symposium and Discussion Meeting” from November29–December1, 2019. IIIT, Hyderabad

345. Participated in the "Rising East & North East" Programme under 'National Start-up Conclave and Expo’ at IISF, Kolkata on 7 November 2019.

344. Invited lecture at Inaugural Session of the State NCSC 2019 Assam, November 3, 2019

343. India International Science Festival at Science City Kolkata, IISF, 2019

343. Delivered a Keynote Address in the inaugural programme of the 27th State Level "National Children Science Congress" held at JNV, Rangajan, Tinsukia, today on 2nd November 2019 in presence of Hon'ble Chief Minister and S&T Minister of Assam. Also inaugurated and released the Souvenir "AamaarBigyan" in the programme.

342. Delivered a talk at North Eastern Hill University (NEHU), October 30, 2019 Shillong.

341. Delivered a talk on "Chemistry for Empowerment" on October 16, 2019 at University of Science and Technology Meghalaya (USTM).

340. Keynote speaker at 7th International Conference on Geoinformatics in Sustainable Ecosystem and Society, GSES, 2019

339. Invited speaker at National Symposium on Recent Trends in Chemistry: 2019 (RTC-19), at NEHU, 2019

338. Invited lecture on ‘Trans-disciplinary Areas of Research and Teaching’ on September 27-28, 2019.

337. Visited University of Lisbon, Portugal and delivered a Plenary Lecture in the First International Conference on Noncovalent Interactions during September 2 – 5, 2019.

336. The Chapter, in collaboration with DeenDayalUpadhyaya (DDU) College, University of Delhi; IEEE Electron Device Society (EDS)-Delhi Chapter; IEEE Delhi Section organized the Fourth Lecture Workshop on “Trans-disciplinary Areas of Research and Teaching” on September 27-28, 2019 with the support of Shanti Swarup Bhatnagar Awardees. The distinguished scientists, viz. Dr. Karmeshu, Dr. J N Goswami, Dr. Surendra Prasad, Dr. AjoyGhatak, Dr. Anurag Sharma, Dr. G Narahari Sastry, Dr. D P Sarkar, Dr. BalasubramanianSundaram, Dr. Deepak Gaur and Dr. Deepak Thankappan Nair enlightened the students

335. Visited Sobornne University, Paris, France to participate and co-organize an International Conference on “Modeling, Noncovalent Interactions in Supra/Biocatalysis” during August 26-30, 2019.

334. Organised a two-day interactive workshop between CSIR-NEIST and Gauhati University at CSIR-NEIST during July 3-4, 2019.

333. Participated in the inaugural session of the 4-day training program on “Novel products based on ethnic designs & fabrics of NE India for enhancement of economic & social status of rural populace of NE India” at CSIR-NEIST Branch Lab., Imphal held during July 16-19, 2019.

332. Organized one day interactive session with Defence Research Laboratory (DRL), Tezpur on July 2, 2019 to formulate joint programmes on Herbal Formulations, Environmental Care and application of Data Sciences.

331. Organised a two-day Nuts and Bolts of Innovation & Entrepreneurship Training Series on "Building & Translating Innovative Ideas" by CSIR-NEIST in association with BIRAC-KIIT TBI, Bhubaneswar. The training series is based on the “Brewing Bio-entrepreneurship in Jorhat” programme held in July 2019.

330. Participated in the Consultative Meeting of Scientific and Academic Leaders of NER organized by DBT at IIT, Guwahati during July 27-28, 2019.

329. Participated in the Discussion/Brainstorming Meeting on Big Data, AI and ML held at Infosys, Mysore during June 3-4, 2019.

328. Delivered a Keynote Address in the National Conference on Green, Sustainable and Evolving Sciences & 64th Annual Technical Session of Assam Science Society, organized by Cotton University, Guwahati on June 28, 2019.

327. Participated in North East Conclave 2019 on “Transforming North East India through Science & Technology” organized by Institute of Bioresources& Sustainable Development (IBSD) at Shillong, Meghalaya during June 28-29, 2019. Participated as one of the panellists in preparing road map and policy recommendations for North East.

326. Participated in the National Conference on Green, Sustainable and Evolving Sciences & 64th Annual Technical Session of Assam Science Society on June 28, 2019 organized by Cotton University, Guwahati and delivered a Keynote Address.

325. Participated in the CSIR-CFTRI Industry Conclave” at CSIR-CFTRI on 4 June, 2019.

324. Visited DRL, Tezpur and graced the one-day workshop on ‘Water issues, challenges and future technologies for North East India’ as Chief Guest on May 21, 2019.

323. Invited lecture on "Cooperativity of Nonvalent Interactions" atTezpur University onMay21, 2019.

322. Visited Gauhati University and graced the inaugural session of National Conference on “Recent Advances in Applied Sciences (RAAS’2019)” on May17, 2019.

321. Visited CSIR-4PI, Bangalore and discussion/meeting with Dr V Y Mudkavi, Head, CSIR-4PI and his team on May 1, 2019.

320. Invited to Guwahati for BoG meeting of NIPER on April 26, 2019.

319. Visited New Delhi and attended the first meeting of the Working Group of CSIR-Ministry of AYUSH held at CSIR Headquarter, New Delhi on April27, 2019.

318. Participated in DST Sensitization Workshop as expert member in the Sensitization Workshop on ‘DST-Women scientist Scheme’ jointly organized by DST-KIRAN and Nagaland University during March 4-5, 2019 at SASRD, Nagaland University, Medziphema.

318. Graced the ZilaKrishakSamaroh as Chief Guest organized by KrishiVigyan Kendra and Dept. of Extension Education, Assam Agricultural University, Jorhaton March 20, 2019.

317. Recent Advances in Organic and Bio-organic Chemistry (RAOBC) at IISER, Mohali, 22nd- 23rd March, 2019

316. National conference on emerging trends in disease model systems at NCCS, Pune, 25th March, 2019.

315. Workshop on ‘The role of SNT Institution in promoting entrepreneurship and livelihoods in rural areas’ at NIRDPR, Hyderabad, 24th April, 2019.

314. 60th DST INSPIRE Science, January18, 2019, KIIT Bhubaneswar, enjoying science: Learning from Role Models”.


313. Machine Learning and Big Data approaches in Chemical Space and Drug Repurposing-Institute of Chemistry, Academia Sinica, Taiwan 2018

312. Chief Guest cum Keynote Speaker-Jignasa- Student Study Projects, Commissioner of Collegiate Education, Hyderabad 2018

311. Keynote Speakerin National Seminar on Genomics in Drug Discovery-RBVRR Women's College of Pharmacy, Barkatpura, Hyderabad 2018

310. Computers in Pharmaceutical Chemistry and Industry-JNTUH- Hyderabad 2018

309. Invited Speaker in Recent Trends in Structural Bioinformatics and Computer Aided Drug Design, February20-23 2018

308. Lecture on MPDS-NEIST, Jorhat February 252018

307. Molecular Modeling and Big Data applications in Metabolic Disorders-IIT Guwahati February 26,2018

306. G. Narahari Sastry, Centre for Molecular Modeling, CSIR-IICT, Hyderabad, iit madras, February19, 2018

305. Guest of Honour and Resource person in National Workshop on Computational Chemistry and Molecular Modeling-GAD-TLC, SGTB Khalsa College, University of Delhi February 28,2018

304. International Conference on Systems and Processes in Physics, Chemistry and Biology, Department of Physics-Assam University, Silchar March 1-3,2018

303. Biodiversity for Sustainable Development- Nagarjuna Government Degree College, Nalgonda March 9,2018

302. Development Disease Specific Web Portals-Workshop on "Archiving and Enriching Strcutural Data in Biology" Indian Biophysical Society Meet- IISER Pune 2018

134. Big Data in pharmaceutical chemistry-NIPER- Mohali 2018

301. National symposium on Chemical Sciences- GNDU, Patiala March27, 2018

300. Talk on Stephen Hawking-University College of Science, Saifabad March21, 2018

299. Cooperativity of non-covalent interactions- IIT Jodhpur, Rajasthan April 1,2018

298. Invited Lecture-AS Rao Awards Council Science Workshop, Hyderabad May 2, 2018NNUASBE WINTER MEETINON

297. Annual BSBE meeting on computational biology and disease mechanisms, December7-9, 2018, IIT Kanpur. An Overview of Cheminformatics

296. Guest lecture at Centre for molecular modelling, CSIR-IICT, Hyderabad, February19, 2018.


295. Indo-German workshop on Computing in Chemistry, Biology and medicine, IIIT-Hyderabad, November 29– 30, 2017

294. Invited speaker WATOC-Munich, Germany 2017

293. Nobel Prize Series-Ibrant-GUJARAT January 10-13, 2017

292. Talk at International Conference on "Recent Advances in Many-Electron Theory-2017" -GOA February 9-12, 2017

291. MCBR-5-CSIR-Central leather research institute, Chennai, February 18-21,2017

290. Invited Talk on "Recent Innovations in Animal Sciences"- Kakatiya University, Warangal, March 17-18,2017

289. Invited Talk on "Computational Challenges in Deciphering Drug Receptor Interactions"-Assam university, SilcharMarch20-21,2017

288. Key note address on "Green chemistry for sustainable developmenty"-Department of Chemistry, Government Degree College, Jammikunta,Telangana April 6-7, 2017

287. Speaker/Chairperson at International Conference on Drug Design-JNU, Delhi, April 7-9,2017

286. Invited Speaker-IISER- Tirupat April 21,2017

285. WATOC- Munich,GermanyAugust 27– September 1,2017

284. Panellist for session on "Recent Developments in Bioinformatics" at Towards India's Associate Membership of EMBL-PravasiBharatiya Kendra, New Delhi, October12-13, 2017

283. Invited Speaker cum chaired a session at 9th International Symposium on Computational Methods in Toxicology and Pharmacology Integrating Internet Resources-GOA, 27-30 October, 2017

282. Supramolecular Chemistry-Women College,Koti, November 6, 2017

281. Indian conference on Bioinformatics INBIX'17-Birla Institute of Scientific Research, Jaipur November 7-9,2017

280. Chekumuki Science Fest-2017-Kothagudem December 8-10,2017

279. Organizing Chair in APCTCC8-IIT Bombay December15-17, 2017

278. Lecture on Joy of doing Science, INSPIRE Internship Science Camp-2017-Sri Krishnadev Araya University, Ananthapur, December 9, 2017

277. Computing in Chemistry, Biology and Medicine-IIITHyderabad November29, 2017

276. NMSTC-University of Hyderabad,2017

275. Welcome Address Lead Optimization and Candidate Selection-IICT and Zastra Innovations October 9, 2017

274. CMPTI-Goa, October 27-30,2017

273. AP Science Congress-Andhra University, Visakhapatnam, November 7-9,2017


272. Science For Smart Technologies 1st Andhra Pradesh Science Congress January27 -29 2016

271. National Advisory Committee,"Recent Advantages in Molecular Spectroscopy:Fandamentals and Applications in Materials and Biology" RAMS-DST Auditorum, University of Hyderadad,Hyderabad, INDIA, March 2-4,2016

270. Current Trends in Computational Natural Sciences, March 20,2016, IIIT Hyderabad

269. Invited Speaker-St Ann's College for Women, Hyderabad January 29-30,2016

268. 10th International Symposium on Fuels and Lubricants Vivanta by Taj, Surajkund-NCR Delhi April 18-20,2016

267. FUNMAT (Theme: Energy Conversion and Storage)-CSIR-Central Electrochemical Research Institute, Karaikudi, Tamil Nadu May 26-28,2016

266. National Seminar on "Frontiers in Science & Technology" Telangana Academy of Sciences, Hyderabad June 23,2016

265. Instructional Workshop on Computational Methods in Drug Discovery School of computational and integrative sciences-JNU, Delhi August 9 -11,2016

264. Nature Inspired chemistry & Engineering, TSCST-NICE-Centre for Chemical Sciences & Technology, Institute of Science & Technology Hyderabad, October4-6,2016

263. Research in Health care-IICT, Hyderabad October 8, 2016

262. Chaired a Session in international conference on Computational Modelling of Molecules and Materials (CM3-2016)-River View Retreat, Nainital, India October 20-22, 2016

261. Mentor Lecture, INSPIRE Science Camp-Dayanand Science College, Latur November 2-6,2016

260. Recent Advances in Designing Smart Materials AP Science Congress-Vijaywada November 7-9,2016

259. Mentor Lecture, DST INSPIRE Internship Camp-Panjab University, Chandigarh November 29- December 3,2016


258. Application of Molecular Modeling in Separation process-Baba Atomic research centre, Mumbai January 2015

257. The contrasts between Covalent and Non covalent interactions-IPC Department, IISc Bangalore January 19,2015

256. Antiviral Targets National conference on emerging and re-emerging viral outbreaks in India-clinical challenges and Management-CSIR-Indian Institute of Chemical technology, Hyderabad January 20-22,2015

255. QM/MM and large Systems MCBR4-University Heidelberg February 17-22,2015

254. New Vistas of chemistry-An Interdisciplinary Approach-Palamuru University, Mahabubnagar March 12,2015

253. Chemistry: A Central Science, May3, 2015, KS Rao Academy, Summer Camp. Hyderabad

252. Understanding Factors which Modulate Non-Covalent Interactions Frontiers in Electronic Structure theory-Goa May 26-28,2015

251. How to formulate the right research question? Hyderabad chapter of Association of Physicians of India-Hyderabad June 13,2015

250. Genesis and Goals of Med-Science-IICT, Hyderabad July 8,2015

249. Technological Advances in Chemical Sciences-Jawaharlal Nehru Technological University, Hyderabad September 2015

248. Chemistry for Nations Empowerment-VivekVardhini College, Hyderabad October 6,2015

247. Science and Modern Living-Dayanand Science College, Latur September 2015

246. Chemical Sciences: The Scientific Temper-KIIT University, Bhubaneswar 18-22nd September 2015

245. Advanced Material Design for Energy and Environment 3rd Lucknow Science Congress, BBAU-Lucknow 1st November 2015

244. Advisory Committee, Indo German Seminar on Modeling Chemical and Biological Reactivity -IIT- Delhi, New Delhi 7th November 2015

243. International conference on Trend Setting innovations in chemical Sciences and Technology- Applications in Pharma Industry-JNTUH- Hyderabad 16-18th December 2015

242. Speaker, National Conference on Transpiring novelty and Hi-Tech Knowledge in Advanced Research in Pharmaceutical Sciences-TeegalaKrisham Reddy College of Pharmacy, Hyderabad December 29-30,2015

241. Advisory Committee, "Application of Molecular Modeling in Separation Processes"-BARC, Mumbai January 16, 2015


240. International conference on “Chemistry with Computers-CSIR Indian Institute of Chemical Technology, Hyderabad and IIIT, Hyderabad January 18-19,2014

239. DST SERB winter school Modeling Chemical and Biological (Re)activity MCBR-IIIT, Hyderabad January2-21, 2014

238. Drug Discovery Today, BioAsia-Hyderabad, India February 18, 2014

237. Molecules: It's implications in Modern Living 8th Chandigarh Science Congress-Chandigarh, India February 26-28, 2014

236. Computational challenges in deciphering drug receptor interactions at Overcoming the bottlenecks in drug Discovery and development DSIN Ranbaxy-Gurgoan March 20-21, 2014

235. Welcome address in European Roadshow 2014-IICT-Hyderabad March 31, 2014

234. Dynamics of Complex chemical and Biological Systems-IIT Kanpur February13-15,2014

233. Workshop on Computational Nanoscience, Centre for Informatics-Shiv Nadar University, New Delhi, India April3,2014

232. Invited talk on Organic and Niomolecular Interactions International conference on “Emerging Materials and Applications ICEMA-IIT Roorkee April5-6, 2014

231. On the nature of non-bonded interactions: Cooperativity and their interaction with carbon nano structure Fukui Institute for Fundamental Chemistry-Kyoto University, Sakyo-ku Kyoto June 4, 2014

230. Computational Approach to Drug Design University of Hyderabad-Hyderabad August 20, 2014

229. August 20-24, 2014, Kakatiya university, INSPIRE program

228. Talk on SELECTBIO, "Drug Discovery India 2014"-Ramada Powai Hotel & Convention Centre, Mumbai September 11-12, 2014

227. A Computational perspective on drug Design National Conference on bioinformatics and Microbial technology & National workshop in Bioinformatics and Drug discovery-Osmania University December 22 -31,2014

226. Theoretical Chemistry Symposium (TCS)-NCL, Pune December18 -21, 2014

225. Philosophy of Chemistry, Biology, and chemical biology 7 Science concla

ve-IIIT Allahabad 2014

224. Understanding of Non-Bonded Interactions: Contrasting Perspectives of Chemoinformatics, Quantum Chemistry and Molecular Dynamics. Conference on Informatics and Integrative Biology-Bose Institute, Kolkata December 17-19,2014

223. Drug Discovery and Disease Eradication: How Rational Are Our Approaches-CSIR-Indian Institute of Chemical technology, Hyderabad November 2014

222. Keynote Lecture: Drug Discovery and Disease Eradication: How Rational Are Our Approaches” and also coordinator for a panel discussion. APAS Golden Jubilee Science Congress-CSIR Indian Institute of Chemical November 13-15, 2014

221. INSPIRE-Internship Science Camp-Kakatiya Govt. College, Warangal November1-5, 2014

220. Indo-US conference, M2ID2, NIPER, Mohali November 3-6, 2014

219. Cooperativity of Non-covalent Interactions, iit roper, November5

218. Academy Lecture Workshop on Biotechnology Alphores College, Karimnagar November 8, 2014

217. Keynote Lecture "Modeling Specificity in Lead Optimization" "Drug Discovery India 2014, Mumbai September 11-12, 2014

216. International Conference on Chemical Biology-CSIR-Indian Institute of Chemical technology, Hyderabad February 2014

215. Science-Technology Interface: The Chemistry Perspective Technological Advances in Chemical Sciences-JNTU-Hyderabad th September14, 2014

214. Theoretical Chemistry Symposium (TCS)-IISER Pune December20, 2014


213. “Understanding the formation of macromolecular assemblies: A structural perspective Electronic Structure Approaches to Atoms Molecules Clusters Solids”, ACHREM, University of Hyderabad on January 7-11, 2013

212. Keynote Address: Virtual screening and Computer aided drug design, Pondicherry University on February14-15, 2013

211. “Biotech for a better tomorrow”, The Lalit Ashok Bangalore National seminar cum workshop on Drug Discovery and Translational Research, Pondicherry University on February, 2013

210. Session on Synthetic biology, Molecular Biotechnology and Bioinformatics, India Bio, Bangalore, India on February 4-6,2013

209. Recent trends in Organometallic compounds and their Industrial Applications, International Conference on Recent Trends in Organometallic Compounds and its Industrial Applications, KIIT University, Bhubaneswar on February5-7, 2013

208. Modulating Cation-π Interactions: causes and consequences 2nd annual symposium on Current trends in Computational Natural sciences IIT Hyderabad on February 2013

207. Indo-German conference, MCBR3, NIPER, Mohali on th February 26to March3, 2013.

206. Computational Chemistry: From Excitement Driven to Utility Driven, Professor Shridhar R. Gadre Trust for Theoretical and Computational Chemistry, University of Pune-Pune on March26, 2013

205. Molecular modeling and drug Design, Readdressing research in pharmaceutical Sciences: A global perspective Anurag group of institutions, Hyderabad on March 1-3,2013.

204. First National Conference on Mapping the “Materials Genome”, Organized by the Center for Informatics and the School of Natural Sciences Shiv Nadar University, India, March 8-10, 2013.

203. Modeling Specificity in lead Optimization, March22-24, 2013

202. Computers and Drug Design, SIT, JNTU-Hyderabad on May 8-10,2013

201. Session on “Computer Aided Drug Design”,Wipro on June12, 2013

200. Keynote Address on "Specificity in Drug Receptor interactions", Facts of Insilico Chemical Biology for Novel Therapeutics on June 18,2013

199. INSPIRE-Internship Science Camp, Kakatiya Govt. College, Warangal on August 2-6, 2013

198. D. Norris Memorial lecture on "Modeling Molecules, Materials and Organisms", Indian Institute of Natural Resins and Gums, Ranchi on September 3, 2013

197. MPDS Portal, Annual Scientific Review Meeting, CSIR –OSDD on September 13,2013

196. DST-SERB Winter School on Computational Chemistry, Sardar Patel University, Gujarat on December 9-13,2013

195. One Day Faculty Development Programme Aurora College, Hyderabad on November 28, 2013

194. Chemistry With Computer, Royal Society of Chemistry, IIT, Hyderabad on October 18, 2013

193. National Symposium on “Frontiers in Organic Chemistry”, University of Hyderabad, HyderabadChem Careers India 2013 on October 11-12, 2013.

192. Challenges and Synergism in academia-industry collaboration, Recent Advances in Computational Drug Design, Schrodinger, Inc., Bengaluru on September 16-17, 2013.

191. Range and Relevance of Modulating Non-Bonded Interactions, Current trends in Theoretical chemistry BARC Mumbai on September 26 -28,2013.

190. International Conference on Computational and Data Intensive Science CSIR-NAL, Bengaluru on Augest26 - 28,2013.

189. Chemistry With Computer, Chemcareers India 2013, IICT Hyderabad on October 18, 2013.

188. Cooperativity of non-covalent interactions, 79th annual meeting of Indian Academy of Sciences, Chandigarh on November 8-10,2013.


187. DST INSPIRE Lecture, Saifabad College, Osmania University, Hyderabad, India on May-2012.

186. BioinformaticaIndica, Centre for bioinformatics, University of Kerala, Kerala, India on January 12-14,2012.

185. Refresher course Modern trends in Chemical Research, School of Chemistry, University of Hyderabad on July 11-31,2012.

184. My excitements and experiences in chemistry and interdisciplinary areas Opportunities for Synergy and avenues to innovate, CSIR Indian Institute of Chemical Technology, Hyderabad on August 2012.

183. International Symposium on Chemistry and Chemical Biology of Natural Products, CSIR Indian Institute of Chemical Technology-Hyderabad on August 2-4,2012.

182. Science for shaping the Future of India by Osmania University-Hyderabad, November-2012.

181. Three day refresher course Green chemistry in drug synthesis on November 2012.

180. Drug metabolism by Cytochrome P450: “A tale of multistate reactivity, International conference on Recent Advance in Pharmaceutical sciences”, Kakatiya University,-Warangal on November 22-24,2012.

179. “How Modeling works in Chemistry, Biology and Chemical Biology, green chemistry in Drug Synthesis and recent advances in Biotechnology” by Academic Staff College, Jawaharlal Nehru Technological University-Hyderabad on November16,2012.

178. “Structure and Analog based Drug Design and their application in virtual screening”,Pharmaceutical Sciences, Department of pharmacy BITS Pilani, (CTPS-2012) Hyderabad on November 17,2012

177. Strong Non Covalent Interactions: Their occurrence and relevance Innovations in science technology and mathematics, AP science Congress-2012, AcharyaNagarjuna University Guntur, Andhra Pradesh on November 14-16,2012.

176. “Lead Lecture on "Chemistry in Healthcare", Science for Shaping The Future of India, Indian Science Congress Association, Hyderabad chapter on November 28-29,2012.

175. Challenges and promises of Computer aided Drug design, International Conference on Environmental impact on human health and therapeutic challenges, Sri Venkateshwara university, Tirupathi on December 20-22, 2012.

174. Invited Lecture; Professor M. Nagaoka, Nagoya University, Nagoya, Japan January 2012.

173. Invited lecture; Professor Jan-ha Hasegawa, Fukui Institute of Fundamental Chemistry, Kyoto University, Japan, January 2012

172. Invited lecture; Professor Manabu Sugimoto,Kumamoto University, Kumamoto, Japan, January 2012

171. Invited lecture; Professor Manabu Abe,Hiroshima University, Hiroshima, Japan February 2012.

170. Invited International lecture; Professor Shinji Saito,Institute of Molecular Sciences, Okazaki, Japan February 2012.

169. Invited International lecture; Professor Koichi Kato, Nagoya City University, Nagoya, Japan March 2012

168. Invited International lecture; Professor Seiji Mori,Ibaraki University, Ibaraki, Japan March 2012

167. Invited International lecture; Professor UmpeiNagashima,University of Tsukuba, Tsukuba, Japan, March 2012

166. Invited International Lecture; Professor Masahiko Hada, Tokyo Metropolitan University, Tokyo, Japan, March 2012

165. Invited lecture; Professor Koichi Yamashita, University of Tokyo, Tokyo, Japan March 2012.

164. Invited lecture; Professor Nakajiima, AICS, Riken, Japan March 2012.


163. University of Hyderabad, 6th J-NOST Conference (Junior-National Organic Symposium Trust)-School of Chemistry. January 28-31,2011

162. CSIR Indian Institute of Chemical Technology, Hyderabad International Conference on recent trends in renenewable Energy resources, Indo German nachkontakt Association, HyderabadJanuary 28-30,2011

161. International conference on Imbibing pharmaceutical knowledge to professionals, Lalitha College, Hyderabad on Lecture on "Selectivity in Drug Design" January 31,2011

160. C.V. Raman College, Warangal International conference on “Chemical solutions for energy and environment” February 2011

159. NIPER, Mohali 3rd International symposium on Drug Metabolism and PharmacokineticsFebruary 2011

158. International year of chemistry lecture series IISER, Pune on “Cooperativity of non-bonded interactionsMarch, 2011.

157. Silver Jubilee, “SPS@25: Looking forward”, JNU, Delhi,March, 2011

156. Symposium of Joint Laboratory for Sustainable chemistry at Interface, CSIR Indian Institute of Chemical Technology, Hyderabad April, 2011.

155. OMICS Publishing group, Hyderabad Speaker in International Conference & Exhibition on Proteomics & BioinformaticsJune, 2011.

154. Convener CSIR Indian Institute of Chemical Technology, Hyderabad Applied theory on Molecular systems ATOMSNovember 2 -5, 2011.

153. Andhra Pradesh Science Congress 2011- Science for Society GITAM University, Vishakhapatnam on “Non-covalent Interactions in Chemistry and Biology”November 14-16,2011.

152. HCU, Hyderabad, June 2011

151. Invited lectureatInstitute of Molecular Sciences, Okazaki, Japan December 2011.

150. Invited lecture at C. V. Raman College, Warangal, February 2011.

149. Invited lecture at Lalita College, Hyderabad, January 2011.

148. Invited lecture at JNU, Delhi, March 2011.

147. Multi-disciplinary International workshop on Artificial Intelligence at University of Hyderabad, December8 -9, 2011.


146. University of Hyderabad, Hyderabad on Workshop & International conference on frontiers of interface between statistics and sciences University of Hyderabad, HyderabadDec 2009 to Jan 2010.

145. NIPER, Mohali 3rd International symposium on “Drug Metabolism and Pharmacokinetics”January, 2010.

144. 12th CRSI National symposium in chemistry CSIR Indian Institute of Chemical Technology, Hyderabad CRSI Medal Lecture on "Cation-π Interactions in Chemistry and Biology" February 5-7,2010.

143. Pondicherry University, Pondicherry National workshop on “recent advances in structure-based drug design methods” February, 2010

142. Central Drug Research Institute, Lucknow on CTDDR 4th International symposium on “current trends in drug discovery research”February, 2010.

141. Marriott Hotel and Convention Centre, Hyderabad International conference and exhibition on bioequivalence and bioavailability 2010, March, 2010.

140. Institute of Molecular Sciences, Okazaki, Japan on “Non-bonded interactions in chemistry”March, 2010.

139. Chemical Society of Japan, Annual Meeting on Quantitative measurement of non-bonded interactions. The issues and implications.March, 2010.

138. Gifu University, Japan on “Cation-π interactions in chemistry and biology” March, 2010.

137. Computer Aided Drug Design and Development (CAD3 - 2010) NIPER, Hyderabad on “An Example of How Chemistry Impacts Other Disciplines”April 30–May2, 2010

136. University Institute of Pharmaceutical Sciences, Panjab University, Chandigarh on “Emerging Trends in Drug Discovery and Development”May 31– June12, 2010

135. CSIR Indian Institute of Chemical Technology, Hyderabad on “Organic synthesis and human wellbeing: emerging opportunities and challenges-2010”August, 2010

134. Centre for Modelling Simulation and Drug Design, University of Hyderabad on “Quantum mechanics for large molecules. Workshop on molecular modelling and drug design”August 2-7, 2010

133. CSIR Indian Institute of Chemical Technology, Hyderabad, India on “Humboldt Kolleg and International conference on “Interface between chemistry and biology: A perspective” September, 2010

132. SRM University, Chennai on “Computer aided drug design”September, 2010.

131. DRDO, Trivandrum CEP on “Science and technology of nanomaterials” Modelling of nanomaterials, September, 2010.

130. IISER, Trivandrum on “Interplay between theory and experiments in chemistry” October, 2010.

129. National seminar on computational biology, Pondicherry University on “Molecular modelling approaches in Inhibitor design towards Phosphodiesterase and p38 kinase”, September 15 -17,2010.

128. Workshop on “Drug Discovery: D4PS-2010 Drug design, development, delivery and pre-clinical studies NIPER, Hyderabad", October 8-9,2010.

127. Bio Design INDIA 1.0 Centre for Synthetic biology& Centre for Bioinformatics, University of Kerala, Thiruvananthapuram,October 7-9, 2010.

126. Indo-Swiss bioinformatics meeting, IIT, Delhi on the issue of Subtype selectivity in drug design,October 26-27, 2010.

125. Centre for theoretical studies, IIT, Kharagpur on “The Relevance of First Principles Approaches in Macromolecular structure Prediction and nanotechnology, One day National symposium in theoretical sciences.”November 20, 2010

124. National conference on biological chemistry, Gitam University, Visakhapatnam on “Computer Aided Design of p38 MAP Kinase Inhibitors”November 29-30, 2010,

123. Science, technology, education for prosperity” organized by A. P. Science Congress. Jawaharlal Nehru Technological University, Hyderabad on “P38 MAP kinase inhibitor design: Exploring DFG loop conformation and gate keeper residue”, November18-20, 2010.

315. TCS10: Understanding molecular simulations- Theory and applications., Indian Institute of Technology, Kanpur on “Computational studies on Binding mode of Metal Ions (Li+ and Mg+2) to Heteroaromatics (CH)6-m-n Nm Pn(m+n<=6)”,December 8-12, 2010,

122. (NIUS), HBCSE: TIFR, Mumbai on “The national initiative on undergraduate sciences”December, 2010.

121. Invited lecture at IICT, Hyderabad, February 2010.

120. Invited lecture at Centre for Modelling Simulation and Drug Design, University of Hyderabad, August 2010.

119. Invited lecture at Centre for Systems and Synthetic Biology & Centre for Bioinformatics, University of Kerala, Thiruvananthapuram, October 2010.

118. Invited lecture at IISER, Trivendrum, October 2010.

117. Invited lecture atHBCSE: TIFR, Mumbai, December 2010


116. 96th Indian national congress, The Indian Science Congress Association, Shillong, Meghalaya on Dr BC Deb Memorial Award for Physical/soil Chemistry lecture on "Cation-π Interactions in isolated and Associated Forms: A Quantum Chemical and Database Study", January 3-7,2009.

115. Special Lecture on Chemoinformatics & Bioinformatics, Nizam’s College, Hyderabad on “Applications of mathematical chemistry in molecular design, drug discovery and approaches in natural chemistry”January6-9, 2009.

114. IMTECH, Chandigarh on “Computational approaches in structure-based drug design”January, 2009.

113. Discussion meeting on Theoretical chemistry, IISc Bangalore on “Cation- π interactions in Chemistry”.January 18-22, 2009,

112. SVIMS, Tirupati National workshop on bioinformatics,February, 2009.

111. Perspectives and current trends in Bioinformatics

Center for Cell and Molecular Biology, Hyderabad on “Modeling subtype selectivity in Phosphodiesterase”, February 9-15, 2009

110. National seminar on Current trends on Current Trends in Bioinformatics teaching & Research Pondicherry University, Pondicherry on “Structure and analog based drug design and their application in virtual screening” February 16-18,2009.

109. Institute of Molecular Sciences, Okazaki, Japan on the cooperativity of non-covalent interactions.March, 2009.

108. International conference on open-source computer aided drug discovery IMTECH, Chandigarh on “Computer aided drug design: The structure and analogy-based approaches” March22-26, 2009.

107. Current trends in Medicinal Chemistry, Indian institute of Technology, Madras, India on “Computational approaches in Rational Drug design”.April, 2009.

106. Ludwig-Maximilians University of Munich, Munich, Germany on Organizer MCBRII, modeling chemical and biological (re)activity,October, 2009.

105. Indian Institute of Information Technology, Hyderabad on Indian Institute of Information Technology, Hyderabad Seventh workshop on the excitement of research (EXOR)November, 2009.

104. Department of Chemistry and Interdisciplinary school of Scientific Computing, University of Pune on “Changing Paradigm in theoretical and computational chemistry: From atoms to molecular clusters”,December, 2009.

103. Invited speaker; Kyushu University, Japan March 2009.

102. Invited speaker; Hiroshima University, Japan March 2009.

101. Invited lecture at Nizam’s College, Hyderabad, January 2009.

100. Invited speaker; IISER. Kolkata, December 2009.


99. Bioinformatics Indica, University of Kerala, Trivandrum, India on “Rational drug design: Interplay with experiment and computationJanuary, 2008.

98. Department of Chemistry, University of Kyoto, Kyoto, Japan on “The role, range and relevance of cation-π interactions in chemistry and biology” January, 2008.

97. International conference on the interface of chemistry-biology in biomedical research BITS Pilani, Rajasthan on “Homology Models in structure-based drug design approaches: Our experiences in Membrane proteins”February, 2008.

\96. National symposium on “The electronic structure and properties of Atoms and molecules, University of Hyderabad on the strength and relevance of Cation-π and π- π interactions in Gas and Condensed phases”April 11-12, 2008.

95. Department of Bioinformatics, SVIMS University, Tirupati, INDIA on “Rational Drug Design: The Post Genomic Perspective”April, 2008.

344. Centre for Development of Advanced Computing, Pune, India on “Computer Aided Drug Design: the structure and Analogue based approaches” April 29-30, 2008,

94. Bioinformatics centre, Pondicherry, India on “Rational Drug Design: The Post genomic perspective”February, 2008.

93. International conference on the interface of chemistry-biology in biomedical research BITS Pilani, Rajasthan on “Homology Models in structure-based drug design approaches: Our experiences in Membrane proteins”February, 2008.

92. University college of pharmaceutical sciences, Warangal, India on “Introduction to molecular modelling” March, 2008.

91. Invited speaker; University of Munich, Germany, June 2008


90. Invited Speaker Brussels Free University, Belgium LMU (Munich), University of Marburg (Marburg) 2006-2007.

89. University of Bayreuth, Bayreuth, Germany on “Nuts and bolts of structure-based drug design: Approaches based on homology models” January, 2007.

88. University of Giessen, Giessen, Germany on addressing the apparent disparity between quantum chemical and X-ray crystallographic results on cation–π interaction,January, 2007.

87. Lady Doka College, Madurai, India on “Insilco approaches in modern drug discovery”, January, 2007.

86. Nizam college, Hyderabad on “Insilco approaches in modern drug discovery”July, 2007.

85. Invited speaker; University of Bayreuth, Bayreuth, Germany, January 2007.

84. Invited speaker; University of Giessen, Giessen, Germany, January 2007.

83. EMBL, Heidelberg, Germany on “Cation-π interactions in chemistry and biology: Insights from quantum chemical studies and structural database analysis” February, 2007.

82. Max Planck Institute, Mulheim, Germany, February, 2007.

81. Rajiv Gandhi Centre for Bioinformatics, Trivandrum, India on “QSAR methods and Virtual library generation”August, 2007.

80. Andhra University, Visakhapatnam on “Molecular design of materials for CO2 absorption” August 16, 2007.

79. Vignan Engineering College, Hyderabad, India on “Designing drugs in the post genomic era: Challenges and opportunities”,October, 2007.

78. University college of Technology, Osmania University, Hyderabad, India on “Modelling in Chemistry and its relevance in technology”October, 2007.

77. Osmania University, Hyderabad, INDIA on “Health care in post-genomic world: the Role of Computations, (Genome analysis perspective in the post-genomic era and its relevance to society”,October, 2007.

76. Convener Modelling chemical and biological reactivity MCBR, CSIR-IICT, Hyderabad.26-29 September 2007.


75. Invited Speaker Advances in organic chemistry and chemical biology CSIR Indian institute of Chemical Technology, HyderabadJanuary, 2006.

74. Invited speaker; Brussels Free University, Belgium LMU (Munich), University of Marburg (Marburg), 2006-2007.

73. OCCB, Preconference sessions, NCL, Pune, India on “Molecular Modeling In drug Discovery: Comparative Protein Modeling and Molecular Dynamics: Studies of some Drug Targets”January, 2006,

72. Dr GRDCS, Coimbatore, India on “Computer Aided Drug Design”January, 2006.

71. Invited Speaker Exploring Scientific Frontiers through Bioinformatics, Dr. GR Damodaran College of Science, CoimbatoreFebruary, 2006.

70. Dept of Chemistry, Gulbarga University, Gulbarga on “Computer aided Drug Design.”February 18,2006.

69. Current research trends and development in Heterocyclic chemistry, PG College of Science, Osmania University on “the disparity of reactivity in hydrocarbons and heterocyclics: A Theoretical Perspective.”March, 2006.

68. Invited Lecture School of Chemistry, University of Hyderabad on refresher course in chemistry,March 24-16, 2006.

67. Pondicherry University, Pondicherry on “Computer Chemistry and Drug Design” March, 2006.

66. Rajiv Gandhi centre for Biotechnology, Trivandrum, India on “Computer Aided Drug Design”March, 2006.

65. National chemical laboratory, Pune on “Computer Aided Drug Design”.March, 2006.

64. Invited Lecture Nakatsuji Lab, Kyoto University, Japan on 12th International Congress of Quantum Chemistry, March 17, 2006,

63. Alexander von Humboldt Foundation Invited Lecture on "The computational design of organ catalysts: The need and challenge" October 12-13,2006.

62. University of Geneva, Geneva on the cooperativity of non-covalent interactions, November, 2006.

61. Leiden University, Leiden on “Computational study of the cation–π interactions and their influence on other non-covalent interactions”November, 2006.

60. Nagoya Institute of Technology, Nagoya, Japan on “Computational study on the metal ion interaction with organic molecules and proteins” May, 2006.

59. XIIth International Congress of Quantum Chemistry, Kyoto, Japan on “Theoretical studies on buckybowls” May, 2006.

58. XIIth International Congress of Quantum Chemistry, Kyoto, Japan on “Homology modelling of membrane proteins”May, 2006.

57. XIIth International Congress of Quantum Chemistry, Kyoto, Japan on “Metal ion interactions with aromatic motifs: quantum chemical calculations and database analysis”, May, 2006.

56. Free University, Amsterdam on “Computational study of the cation-π interactions and their influence on other non-covalent interactions”November, 2006.

55. University of Fribourg, Fribourg on “Quantification of non-covalent interactions: Insights from quantum chemical studies and structural database analysis” November, 2006.

54. Theoretical Chemistry Symposium, Bharathidasan University, Tiruchirappalli, Tamandu on “Design of the smallest neutral planar tetra coordinate hydrocarbon”.December11-13, 2006,


53. The INDO-EU thematic workshop, INSA building, IGIB, New Delhi, India.January, 2005.

52. Invited speaker; Seventh world congress of theoretically oriented chemists – WATOC ’05 Cape Town, South Africa January 2005.

51. WATOC 05, University of Western Cape, Cape Town, South Africa Invited Talk on "Modelling Structure and Reactivity" January 16-21, 2005.

50. Dept of Botany, Andhra University, Visakhapatnam on Invited Lecture on Bioinformatics January24-29, 2005.

49. Invited Lecture Annual convention of AP academy of sciences, Baxalta Engineering college Guntur, February, 2005.

48. Seminar on Bioinformatics and computational biology, Pondicherry University on “The role of Insilco approaches in Modern Drug Discovery” February, 2005.

47. Bharathidasan University, Tiruchirappalli, India on “HF and Appropriate MO theories: Molecular Electronic Structure and Dynamics.”March, 2005.

46. CSIR Indian Institute of Chemical Technology,Hyderabad on “Computational Studies of curved polycyclic aromatics hydrocarbon.”March, 2005.

45. Indian Institute of Technology, Madras, India on “Computational studies of curved polycyclic aromatic hydrocarbon” March, 2005.

44. Indo-EU Science & Technology Cooperation, DST-India and European Commision Directorate General for Research Invited Participant in Indo-EU Workshop on "Genomics and Biotechnology for Health" April27-28, 2005,


43. International Union of Pure and Applied Chemistry Conference, New Delhi, INDIA on “Stereochemical control of substituents at C-2' and C-4' on the radical cyclization of cyclic 3-oxa-hex-5enyi systems derived from carbohydrates” January, 2004.

42. Invited speaker National Seminar Bioinformatics centre, Pondicherry, India on "Systems Approach to Bioinformatics” February18-20, 2004,

41. 2nd International Symposium on current trends in Drug Discovery Research, Lucknow, p73, INDIA on “Application of artificial intelligence and data mining tools in screening anti -microbial agents” February, 2004.

40. Schrodinger, Hyderabad a Seminar on "Recent Advances in Structure based drug design” July 23, 2004.

39. Dept of Chemistry, Chaitanya Bharathi Institute of Technology, Hyderabad Invited Lecture on Computer Aided Drug DesignAugust 5,2004.

38. Chemistry Biology Interface: Synergistic New Frontiers, New Delhi, p26-12, INDIA on “Structure and Analogy based Approaches Towards PDE IV Inhibitors”, November, 2004.

37. Chemistry Biology Interface: Synergistic New Frontiers, New Delhi, p26-18, INDIA on “Structure reactivity and selectivity in Diels alder coupling Theoretical study of heterocyclic ring formation”November, 2004.

36. Workshop on Molecular modelling &Pharmacoinformatic, NIPER, “India on Nuts and Bolts of in silico structure determination”, November 1-5, 2004.

35. Symposium in theoretical chemistry, Baba Atomic Research Centre, Mumbai on “Modeling Membrane Proteins.”December, 2004.

34. Symposium in theoretical chemistry, Baba Atomic Research Centre, CP-69, Mumbai, INDIA on “Exploring the Cis-trans isomerism, tautomerism and relative stabilities of porphyrin isomers and their modified analogues.”December, 2004.

33. Symposium in theoretical chemistry, Baba Atomic Research Centre, CP-70, Mumbai, INDIA on “Structure based approaches to lead optimization and study of PDE4 inhibitors”,December, 2004.

32. Symposium in theoretical chemistry, Baba Atomic Research Centre, CP-71, Mumbai, INDIA on “The smallest neutral planar tetra coordinate carbon”.December, 2004.

31. Symposium in theoretical chemistry, Baba Atomic Research Centre, CP-72, Mumbai,INDIA on “The Challenges in computing proton and metal ion affinities: A test case of amino acids and amines.”December, 2004.


31. Trends in Theoretical Chemistry 2002, Indian Association of Cultivation of Science, KOLKATTA, INDIA on “Computational studies on Diels-Alder reaction”January, 2003.

30. Trends in Theoretical Chemistry 2002, Indian Association of Cultivation of Science, KOLKATTA, INDIA on “An exploratory computational study of C6H6 isomers” January, 2003.

29. Trends in Theoretical Chemistry 2002, Indian Association of Cultivation of Science, KOLKATTA, INDIA on “A Revised look of heteroaromacity”, January, 2003.

28. Seminar on Prospects and challenges in bioinformatics, Pondicherry University, Pondicherry INDIA on “Molecular modelling Perspective”, February, 2003.

27. Fifth national study symposium in chemistry, Chennai, p228, p229, p230, p231, p232, p376 INDIA on “On our understanding of aromaticity: A holy grail in chemistry”February, 2003.

26. Fifth national study symposium in chemistry, Chennai, p228, p229, p230, p231, p232, p376 INDIA on “Diels-Alder reactions of masked and normal five membered rings: A computational study” February, 2003.

25. Fifth national study symposium in chemistry, Chennai, p228, p229, p230, p231, p232, p376 INDIA on “Explore the causative factors for ring invention, confusion and fusion in expanded and core modified porphyrins: A Compactional study”.February, 2003.

24. Fifth national study symposium in chemistry, Chennai, p228, p229, p230, p231, p232, p376 INDIA on “Quantitative structure activity relationships: Study of blood brain permeation and CNS activity”,February, 2003.

23. Fifth national study symposium in chemistry, Chennai, p228, p229, p230, p231, p232, p376 INDIA on Silaaromaticity in polycyclic systems: A computational study, February, 2003.

22. Fifth national study symposium in chemistry, Chennai, p228, p229, p230, p231, p232, p376 INDIA on “” Bucky bowls and heterobicycle bowls: A theoretical study”, February, 2003.

21. State level seminar on Challenges and Applications in Bioinformatics Bharathidasan University, Tiruchirappalli, Tamil Nadu on “Integration of Bioinformatics and Molecular Modelling approaches to Drug Design”,March 31– April1, 2003.


20. Resource person at Workshop on Molecular Modelling and Pharma informatics, NIPER, Chandigarh, INDIA on Computer Aided Drug DesignJuly, 2002.

19. Recent advances in chemical sciences (RACS-2002), M.G. University, Kottayam, pIL-18, INDIA on “Challenges in Computational Chemistry: Study of Diels-Alder reactions”,December, 2002.

18. 53rd Indian Pharmaceutical congress 2001, New Delhi, XLI, INDIA on December, 2002.

17. “Nuts and Bolts of computer aided drug design: Preliminary studies on antihistamines and nicotinic ligands”.

16. Recent advances in chemical sciences (RACS-2002), M.G. University, Kottayam, pSP-09, INDIA on “A Revised look of Heteroaromatic”,December, 2002.


15. Invited speaker DST sponsored "2nd Winter School on Organometallic Chemistry”, IIT KANPUR, INDIA,January, 2001.

14. Pondicherry University, Pondicherry INDIA on “Rational Drug Design: A computational perspective Bioinformatics in the new millenium, A National Seminar Sponsored by Department of Biotechnology, Govt.of India”,February, 2001.

13. Decennial conference on the current trends in computational chemistry, Jackson State University, Jackson, USA, p178 on A theoretical study on “Skeletally substituted benzenes”, November, 2001.

12. Decennial conference on the current trends in computational chemistry, Jackson State University, Jackson, USA, p175 on “Heterobuckybowls: A Promising Class of Compounds”, November, 2001.


11. Seminar on Current concepts in bioinformatics, Pondicherry University, Pondicherry, INDIA on “Role of computational in drug design, discovery and development”, January, 2000.

10. National Seminar on 'Recent trends in Crystallography’, Biophysics and Computational Biology, University of Madras, Chennai, INDIA on “A semi -empirical study on H1-, H2-, and H3- receptor agonists. Preliminary studies on structure activity relations”, April, 2000.

9. Biennial discussion meeting in theoretical chemistry, TC2K, IIT, KANPUR, INDIA on Weak pi frame works lead to stronger delocalization, December, 2000.

8. Biennial discussion meeting in theoretical chemistry, TC2K, IIT, KANPUR, INDIA, Tailoring the curvature, rigidity, hemodynamic stability and bowl-to-bowl inversion barriers of buckybowls,December, 2000.

7. Biennial discussion meeting in theoretical chemistry, TC2K, IIT, KANPUR, INDIA on “Quantum Mechanical Descriptors and Structure Activity Relationships of Histamine Agonists and Antagonists”, December, 2000.

6. Electron transfer and substitution reactions: Structural aspects of the dichotomy in reactions of ketyl anion radicals and alkyl halides. G. N. Sastry and S. Shaik, Fourth world congress of theoretically oriented chemists – WATOC ’96, July 1996 (Jerusalem, Israel).

5. The ring opening reaction of cyclobutene radical cation: A computational study. G. N. Sastry, T. Bally, P. Carsky and V. Hrouda, January 1998 (University of Pune, India).

4. Ring-opening of cyclobutene radical cation. A nonelectrocyclic reaction. G. N. Sastry, T. Bally, P. Carsky and V. Hrouda, International conference on reactive intermediates and reaction mechanisms, July 1998 (Centro Stefano Franscini, Ascona, Switzerland).

3. The ring opening of cyclobutene radical cation: A quantum mechanical study. G. N. Sastry and T. Bally, Sixth biennial discussion meeting in theoretical chemistry, December 1998 (University of Hyderabad, Hyderabad).

2. The (CH)8 isomers and their ionized kins. A theoretical analysis. U. D. Priyakumar and G. N. Sastry, Sixth biennial discussion meeting in theoretical chemistry, December 1998 (University of Hyderabad, Hyderabad).

1. Molecular modelling of drug-receptor interactions. G. N. Sastry, Seminar on Current concepts in bioinformatics, January 1999 (Pondicherry University, Pondicherry).


441. International conference on reactive intermediates and reaction mechanisms, Centro StefanoFranscini, Ascona, Switzerland July 1998.

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