G. Narahari Sastry

Indian Institute of Chemical Technology 
Computational chemistry, Computational biology, theoretical chemistry
"G. Narahari Sastry"
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Kumar N, Saha S, Sastry GN. (2021) Towards developing a criterion to characterize non-covalent bonds: a quantum mechanical study. Physical Chemistry Chemical Physics : Pccp. 23: 8478-8488
Malladi S, Yarasi S, Sastry GN. (2018) Exploring the potential of iron to replace ruthenium in photosensitizers: a computational study. Journal of Molecular Modeling. 24: 341
Saha S, Vivek MR, Sastry GN. (2017) On the origin of spurious errors in many-body expansion for water cluster Journal of Chemical Sciences. 129: 1053-1060
Janardhan S, Vivek MR, Sastry GN. (2016) Modeling the permeability of drug-like molecules through the cell wall of Mycobacterium tuberculosis: an analogue based approach Molecular Biosystems. 12: 3377-3384
Purushotham U, Zipse H, Sastry GN. (2016) A first-principles investigation of histidine and its ionic counterparts Theoretical Chemistry Accounts. 135
Hussain MA, Vijay D, Sastry GN. (2015) Buckybowls as adsorbents for CO2 , CH4 , and C2 H2 : Binding and structural insights from computational study. Journal of Computational Chemistry
Umadevi D, Sastry GN. (2015) Graphane versus graphene: a computational investigation of the interaction of nucleobases, aminoacids, heterocycles, small molecules (CO2, H2O, NH3, CH4, H2), metal ions and onium ions Physical Chemistry Chemical Physics. 17: 30260-30269
Saha S, Sastry GN. (2015) Cooperative or Anticooperative: How Noncovalent Interactions Influence Each Other. The Journal of Physical Chemistry. B
Venkatesh R, Kasaboina S, Gaikwad HK, et al. (2015) Design and synthesis of 3-(3-((9H-carbazol-4-yl)oxy)-2-hydroxypropyl)-2-phenylquinazolin-4(3H)-one derivatives to induce ACE inhibitory activity. European Journal of Medicinal Chemistry. 96: 22-9
Sharma B, Srivastava HK, Gayatri G, et al. (2015) Energy decomposition analysis of cation-π, metal ion-lone pair, hydrogen bonded, charge-assisted hydrogen bonded, and π-π interactions. Journal of Computational Chemistry. 36: 529-38
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