| Simulations of quantum mechanical corrections for rate constants of hydride-transfer reactions in enzymes and solutions JK Hwang, ZT Chu, A Yadav, A Warshel The Journal of Physical Chemistry 95 (22), 8445-8448, 1991 | 223 | 1991 |
| Role of solvent reorganization energies in the catalytic activity of enzymes A Yadav, RM Jackson, JJ Holbrook, A Warshel Journal of the American Chemical Society 113 (13), 4800-4805, 1991 | 141 | 1991 |
| Efficient delivery of cell impermeable phosphopeptides by a cyclic peptide amphiphile containing tryptophan and arginine A Nasrolahi Shirazi, RK Tiwari, D Oh, A Banerjee, A Yadav, K Parang Molecular pharmaceutics 10 (5), 2008-2020, 2013 | 67 | 2013 |
| Self-assembled surfactant cyclic peptide nanostructures as stabilizing agents D Mandal, RK Tiwari, AN Shirazi, D Oh, G Ye, A Banerjee, A Yadav, ... Soft matter 9 (39), 9465-9475, 2013 | 48 | 2013 |
| Some periodic trends in organic compounds containing O, S, Se, and Te: An ab initio study VK Yadav, A Yadav, RA Poirier Journal of Molecular Structure: THEOCHEM 186, 101-116, 1989 | 34 | 1989 |
| High-throughput virtual screening of drug databanks for potential inhibitors of SARS-CoV-2 spike glycoprotein IE Awad, AAAA Abu-Saleh, S Sharma, A Yadav, RA Poirier Journal of Biomolecular Structure and Dynamics 40 (5), 2099-2112, 2022 | 31 | 2022 |
| Discovery of potent inhibitors for SARS-CoV-2's main protease by ligand-based/structure-based virtual screening, MD simulations, and binding energy calculations AAAA Abu-Saleh, IE Awad, A Yadav, RA Poirier Physical Chemistry Chemical Physics 22 (40), 23099-23106, 2020 | 31 | 2020 |
| Experimental and theoretical approaches into the C-and D-ring problems of sterol biosynthesis. Hydride shift versus C–C bond migration due to cation conformational changes … M Nishizawa, A Yadav, Y Iwamoto, H Imagawa Tetrahedron 60 (41), 9223-9234, 2004 | 25 | 2004 |
| The directional changes in torsion angles alone after complexation of the carbonyl oxygen with a prototypical cation such as H+ predict the facial selectivity of substituted … DA Jeyaraj, A Yadav, VK Yadav Tetrahedron letters 38 (25), 4483-4486, 1997 | 25 | 1997 |
| The C-and D-ring problems of sterol biosynthesis: hydride shift versus carbon carbon bond migration due to conformational changes controlled by counteranion M Nishizawa, A Yadav, H Imagawa, T Sugihara Tetrahedron letters 44 (19), 3867-3870, 2003 | 18 | 2003 |
| Effect of protonation on the ground state properties of retinal analogs: an ab-initio study RA Poirier, A Yadav, PR Surján Canadian journal of chemistry 65 (4), 892-897, 1987 | 17 | 1987 |
| Mechanistic aspects of benzothiazepines: A class of antiarrhythmic drugs A Yadav, A Awasthi, NK Rao European Journal of Medicinal Chemistry 44 (1), 1-6, 2009 | 16 | 2009 |
| An ab initio study of the conformational change around the 6-s-bond in a retinal analogue RA Poirier, A Yadav Chemical physics letters 156 (1), 122-124, 1989 | 16 | 1989 |
| Energy, geometry and valence: The influence of sulfur d-orbital exponent A Yadav, PR Surján, RA Poirier Journal of Molecular Structure: THEOCHEM 165 (3-4), 297-307, 1988 | 15 | 1988 |
| Lead compound design for TPR/COX dual inhibition A Krishna, A Yadav Journal of molecular modeling 18 (9), 4397-4408, 2012 | 13 | 2012 |
| MUNGAUSS, Chemistry Department, Memorial University of Newfoundland, St RA Poirier, MR Peterson, A Yadav John’s, Newfoundland, 1990 | 9 | 1990 |
| Gingerol Derivatives as 14α-demethylase Inhibitors: Design and Development of Natural, Safe Antifungals for Immune-compromised Patients S Sharma, A Yadav Letters in Drug Design & Discovery 17 (7), 918-928, 2020 | 8 | 2020 |
| Conformation around the 12-s bond in an analogue of retinal: An ab initio study A Yadav, RA Poirier Chemical physics letters 164 (1), 68-72, 1989 | 8 | 1989 |
| Role of Asp190 in the Phosphorylation of the Antibiotic Kanamycin Catalyzed by the Aminoglycoside Phosphotransferase enzyme: A Combined QM: QM and MD Study AAAA Abu-Saleh, S Sharma, A Yadav, RA Poirier The Journal of Physical Chemistry B 124 (17), 3494-3504, 2020 | 7 | 2020 |
| An ab initio study of anticonvulsants A Yadav, VK Yadav Journal of Molecular Structure: THEOCHEM 315, 245-251, 1994 | 7 | 1994 |
Veejendra K YadavIndian Institute of Technology KanpurEmail verificata su iitk.ac.in
