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Current Members

Sl. No. Name Position Area of Interests
1 Dr. Selvaraman Nagamani Scientist Software development
Machine learning
Network pharmacology
2 Dr. Hridoy Jyoti Mahanta Scientist Arificial Intelligence
Machine Learning
Software development
Database development
3 Dr. Himakshi Sarma Post-doctoral Fellow Software development
Computational Biology
4 Dr. Anwesh Pandey Post-doctoral Fellow Computational Chemistry
Noncovalent Interactions
5 Dr. Nandan Kumar Post-doctoral Fellow Computational Biology
6 Dr. Lijo John Post-doctoral Fellow Software development
Machine learning
7 Dr. Asheesh kumar Post-doctoral Fellow Computational Chemistry, Molecular Modeling, Non-Covalent Interactions, Computer-Aided Drug Design, Development of Disease Specific Web Portals (MPDS) based on Galaxy Platform, Compound Library, IoT, Artificial Inteligence and Machine Learning
8 Dr. Jyotirmoy Deb Post-doctoral Fellow Electronic Structure Calculations, Designing of Novel Materials for Optoelectronics, Energy Storage and Gas Sensing Applications
9 Dr. Esther Zamir Post-doctoral Fellow Computer Aided Drug Designing
Network Pharmacology
Molecular Biology
10 Dr. Prajisha. J Post-doctoral Fellow Drug Design, Molecular Dynamics, Pharmacophore Mapping and Molecular Docking
11 Dr. Bhargav Kumar Post-doctoral Fellow Computational Chemistry
Database development
12 Dr. Kikrusenuo Kiewhuo Post-doctoral Fellow Database development
Protein-Protein Interaction
Molecular Modelling
13 Ms. Lipsa Priyadarsinee PhD Scholar Computational and Structural Biology
Artificial Intelligence, Machine Learning
Database development
14 Ms. Kripa Dristi Dihingia PhD Scholar Computational chemistry and materials modelling
Advanced materials for high end applications
Nanoscale materials
15 Ms. Dipshikha Gogoi PhD Scholar Computer-Aided Drug Designing
Structural Biology
Molecular Modeling
Biological Database Development
16 Mr. Bitopan Mazumdar PhD Scholar Machine learning
Web application development
17 Mr. Abhishek Pandey PhD Scholar Computer-Aided Drug Discovery, Molecular Biology of Host-Pathogen Interaction and Diseases
18 Mr. Hillul Chutia Scientific
Administrative Assistant
App Development and Machine Learning


Sl. No. Photo Name PhD Thesis Current Affiliation
1 T. C. Dinadayalane A theoretical study on the structural,
energetic, and reactivity aspects of model organic
compounds, Pondicherry University, May, 2004
Associate Professor, Department of Chemistry, Clark Atlanta University,223 James P. Brawley Drive, S.W, Atlanta, GA, 30314, USA.
2 U. D. Priyakumar A theoretical study on heteroaromatics and related compounds, Pondicherry University, March 2003. Professor, International Institute of Information Technology Gachibowli Hyderabad - 500 032 India
3 J. Narasimha Murthy Design and synthesis of aromatase inhibitors as possible antineoplastic agents, University College of Pharmaceutical Sciences, Kakatiya University, January 2008. ...
4 A. Srinivas Reddy Cation-π and Drug-receptor interaction: Quantum chemical and database analysis, Osmania University, April 2008. ...
5 G. Gayathri Prediction of diene-dienophile reactivity in cycloaddition and probing the nature of short C-C bonds: A computational approach, Osmania University, June 2008. Associate Professor, Department of Chemistry, H&S, CMR College of Engineering and Technology
6 Dolly Vijay Theoretical studies on ion molecules, stacking and cooperativity of nonbonded interactions, AcharyaNagarjuna University, October 2008. DST-Inspire Faculty, Department of Chemistry, University of Delhi, Delhi
7 P. Srivani Computer aided drug design strategies to model Choline kinase, Phosphodiesterases and Phospholipase inhibitors, Osmania University, December 2008. ...
8 J. Srinivasa Rao Cation complexation and effect of solvation in molecules of biological interest: A quantum chemical study, Acharya Nagarjuna University, December 2008. Post Doctoral Research Associate, Physics Dept, Drexel University
9 M. Nagaraju Theoretical studies on inclusion complexes of cyclodextrins and hydrogen bonding, Osmania University, January 2009. Postdoctoral Fellow Indianapolis, Indiana, United States
10 R. Kulkarni Design, synthesis and evaluation of new heterocyclic compounds as novel, anti-inflammatory agents, University College of Pharmaceutical Sciences, Kakatiya University, February 2009. Professor at Bharati Vidyapeeth's Poona College of Pharmacy
11 B. Sateesh Theoretical studies on designing novel organic molecules and exploring reaction mechanism, Osmania University, May 2009. Professor at Hangzhou Dianzi University
12 Mukesh Chourasia Molecular modelling studies on P-Type ATPases, DNA-Ligand In nteractio and π-π Networks in Proteins, Osmania University, July 2009. Assistant Professor, Amity University, Noida, Uttar Pradesh
13 Subha Mahadevi Alladi Modeling non-covalent interactions in biological systems, Pondicherry University, Pondicherry University, August 2013. Technical Service Scientist at Millipore Sigma, Redmond, Washington, United States
14 M. Preethi Badrinarayan New lead identification and lead optimization methods on kinases: a computational investigation Bioinformatics Research Scientist, St. Jude Children's Research Hospital, Tennessee, USA
15 D. Umadevi Non-covalent functionalization of carbon-based nanomaterials: A theoretical study, Osmania University Hyderabad Post-Doctorate Trinity College Dublin
16 Md. Althaf Hussain Design of Advanced materials of CO2 Capture: A computational study, Osmania University Hyderabad, December 2014. Research Associate, IIT Bombay, Mumbai, India
17 Uppula Purushotham A comprehensive computational study of aromatic amino acids, their ionic counterparts and dimers, AcSIR, January 2014. CEO at Qstatix Pvt Ltd, Hyderabad, Telangana, India
18 J. Richard Prem Kumar A theoretical study of main group and transition metal ion complexation with hydrocarbons, Osmania University Hyderabad, April 2014. Assistant Professor at Bishop Heber College, Tamil Nadu, India
19 Bhaskar Sharma Non-covalent Interaction involving cations: A computational study, Osmania University Hyderabad, April 2014. Assistant Professor at Assam Don Bosco University, Guwahati, Assam
20 Chinmayee Choudhury Computational studies on druggable targets of Mycobacterium Tuberculosis and human immunodeficiency virus, and identification of potential inhibitors, IIIT Hyderabad, August 2015 DST-INSPIRE Faculty at All India Institute of Medical Sciences (AIIMS), Jodhpur since 2017
21 Y. Indra Neela Y. Indra Neela: Metal ions in biological systems: a computational study, JNTU Hyderabad, March 2015. ...
22 M. Sita Sirisha Structure-(Re) Activity Study of Photosensitizers and Drug molecules, AcSIR, November 2019 Doctor of Philosophy (Ph. D.), Computational Drug Discovery at Academy of Scientific and Innovative Research, Denton, Texas, United States
23 Anamika Singh Gaur Molecular Property Diagnostic Suite (MPDS): Towards Development of Disease-Specific Web Portals, AcSIR, June 2021. Post-Doctoral Fellow, CSIR-IITR, Lukchnow, U, India
24 M. Ramvivek Enumeration and
of Chemical Space and
Computational Studies on
Small Molecular
Clusters, AcSIR, 2021.
Researcher (CADD) at Sai
Life Sciences Ltd, Hyderabad,
Telangana, India.
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