List of publications in 2016
- Anomalous Lithium Adsorption Propensity of Monolayer Carbonaceous Materials: A Density Functional Study, S. Panigrahi, D. Umadevi and G. N. Sastry, J. Chem. Sci., 2016, 128, 1641-1649.
- Modeling the permeability of drug-like molecules through the cell wall of Mycobacterium tuberculosis: an analogue based approach, S. Janardhan, M. Ram Vivek and G. N. Sastry, Mol. BioSyst., 2016,12, 3377-3384.
- A First Principles Investigation of Histidine and its Ionic Counterparts, U. Purushotham, H. Zipse and G. N. Sastry,Theo. Chem. Acc., 2016, 135, 1-16.
- Dynamic ligand-based pharmacophore modeling and virtual screening to identify Mycobacterial cyclopropane synthase inhibitors, C. Choudhury, U. D. Priyakumar and G. N. Sastry, J. Chem. Sci., 2016, 128, 719-732.
- Cooperativity in Noncovalent Interactions, A. S. Mahadevi and G. N. Sastry, Chem. Rev., 2016,116, 2775-2825.
- Design, synthesis and biological activity evaluation of novel pefloxacin derivatives as potential antibacterial agents, T. R. Allaka, N. Polkam, P. Rayam, S. Janardhan, G. N. Sastry, S. S. Kotapalli, R. Ummanni and J. S. Anireddy, Med. Chem. Res., 2016,25, 977-993.
- Structural and Functional Diversities of the Hexadecahydro-1H-Cyclopenta[a] Phenanthrene Framework, a Ubiquitous Scaffold in Steroidal Hormones, C. Choudhury, U. D. Priyakumar and G. N. Sastry, Mol. Inform., 2016, 35, 145-157.
- Structures and Energetics of Complexation of Metal Ions with Ammonia, Water and Benzene: A Computational Study, B. Sharma, Y. Indraneela and G. N. Sastry, J. Comp. Chem., 2016, 37, 992-1004.
- Buckybowls as Adsorbents for CO2, CH4 and C2H2: Binding and Structural Insights from Computational Study, M. A. Hussain, D. Vijay and G. N. Sastry, J. Comp. Chem., 2016, 37, 366-377. [Selected as the cover page of Issue 3, January 2016]
