G. Narahari Sastry
Affiliations: | Indian Institute of Chemical Technology |
Area:
Computational chemistry, Computational biology, theoretical chemistryWebsite:
http://203.199.182.73/gnsmmg/Google:
"G. Narahari Sastry"Mean distance: 8.31 | S | N | B | C | P |
Parents
Sign in to add mentor| Eluvathingal Devassay Jemmis | grad student | University of Hyderabad | |
| Sason S. Shaik | post-doc | 1994-1996 | Hebrew University |
Children
Sign in to add trainee| Anwesh Pandey | post-doc | 2021- | CSIR NEIST |
| Hemant Kumar Srivastava | research scientist |
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Publications
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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 |