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Year Wise Publications

                                                

                                             

List of publications in 2023

  1. G. N. Sastry et al., Frontiers Plant Science, 2023. (Accepted)
  2. Estimation of genetic variation in yield and contributing characters and capsaicin contenet of Capsicum chinese Jacq. (Ghost Pepper) germplasm from NE India, G. N. Sastry, et al., PeerJ. 2023. (Accepted)
  3. Galaxy for Open Source Computational Drug Discovery Solutions, A. S. Gaur, S. Nagamani, L. Priyadarsinee, P. Ramakrishnan, G.N. Sastry, Expert Opin Drug Discov., 2023.
  4. First Pricipal Calculations on the Micro Solvation of 3d-Transition Metal Ions: Solvation Vs Splitting Water, Y. B. Kumar, N. Kumar, G. N. Sastry, Theor. Chem. Acc., 2023. (Accepted)
  5. Structure and Stability of the sH Binary Hydrate Cavity and Host-Guest versus Guest-Guest Interactions therein: A DFT Approach, S. Mondal, G. Jana, H. K. Srivastava, G. N. Sastry, P. K. Chattaraj, J. Comput. Chem., 2023.
  6. Agarwood (Aquilaria malaccensis L.) a quality fragrant and medicinally significant plant based essential oil with pharmacological potentials and genotoxicity, R. Gogoi, N. Sarma, T. Begum, S. K. Chanda, H. Lekhak, G. N. Sastry and M. Lal, Ind Crops Prod., 2023, 197, 116535.
  7. Molecular dynamics simulations reveal the effect of mutations in the RING domains of BRCA1-BARD1 complex and its relevance to the prognosis of breast cancer, K. Kiewhuo, L. Priyadarsinee, H. Sarma, and G. N. Sastry, J. Biomol. Struct. Dyn., 2023, 1-19.
  8. The Preventive and Therapeutic Potential of the Flavonoids in Liver Cirrhosis: Current and Future Perspectives, R. Sahu, S. Goswami, G. N. Sastry and R. K. Rawal, Chem. Biodivers., 2023, 20(2), e202201029.
  9. Assessing machine learning approaches for predicting failures of investigational drug candidates during clinical trials, L. John, H. J. Mahanta, Y. Soujanya and G. N. Sastry, Comput. Biol. Med., 2023, 153, 106494.
  10. OSADHI–An Online Structural and Analytics based Database for Herbs of India, K. Kiewhuo, D. Gogoi, H.J. Mahanta, R.K. Rawal, D. Das, S. Vaikundamani, E. Jamir and G.N. Sastry, Comput Biol Chem., 2023, 102, 107799.
  11. Binding Propensity and Selectivity of Cationic, Anionic and Neutral Guests with Model Huydrophobic Hosts: A First Principles Study, Y. B. Kumar, A. Pandey, N. Kumar, G. N. Sastry, J. Comput. Chem., 2023, 44(3), 432-441.
  12. Deciphering the importance of MD descriptors in designing Vitamin D Receptor agonists and antagonists using machine learning, S. Nagamani, L. Jaiswal and G. N. Sastry, J. Mol. Graph. Model., 2023,118,108346.