| Peptide-like and small-molecule inhibitors against Covid-19 S Pant, M Singh, V Ravichandiran, USN Murty, HK Srivastava Journal of Biomolecular Structure and Dynamics, 1-10, 2020 | 294 | 2020 |
| Benchmarking of different molecular docking methods for protein-peptide docking P Agrawal, H Singh, HK Srivastava, S Singh, G Kishore, GPS Raghava BMC bioinformatics 19 (13), 105-124, 2019 | 135 | 2019 |
| Molecular Dynamics Investigation on a Series of HIV Protease Inhibitors: Assessing the Performance of MM-PBSA and MM-GBSA Approaches HK Srivastava, GN Sastry Journal of Chemical Information and Modeling 52 (11), 3088-3098, 2012 | 120 | 2012 |
| Comparative QSAR study of phenol derivatives with the help of density functional theory FA Pasha, HK Srivastava, PP Singh Bioorganic & medicinal chemistry 13 (24), 6823-6829, 2005 | 118 | 2005 |
| Quinazolinone linked pyrrolo [2, 1-c][1, 4] benzodiazepine (PBD) conjugates: Design, synthesis and biological evaluation as potential anticancer agents A Kamal, EV Bharathi, MJ Ramaiah, D Dastagiri, JS Reddy, A Viswanath, ... Bioorganic & medicinal chemistry 18 (2), 526-542, 2010 | 107 | 2010 |
| Comparison of computational methods to model dna minor groove binders HK Srivastava, M Chourasia, D Kumar, GN Sastry Journal of chemical information and modeling 51 (3), 558-571, 2011 | 90 | 2011 |
| DFT-based QSAR study of testosterone and its derivatives PP Singh, HK Srivastava, FA Pasha Bioorganic & medicinal chemistry 12 (1), 171-177, 2004 | 90 | 2004 |
| Phosphine-Free Well-Defined Mn(I) Complex-Catalyzed Synthesis of Amine, Imine, and 2,3-Dihydro-1H-perimidine via Hydrogen Autotransfer or Acceptorless … K Das, A Mondal, D Pal, HK Srivastava, D Srimani Organometallics 38 (8), 1815-1825, 2019 | 84 | 2019 |
| Calculation of transition dipole moment in fluorescent proteins—towards efficient energy transfer T Ansbacher, HK Srivastava, T Stein, R Baer, M Merkx, A Shurki Physical Chemistry Chemical Physics 14 (12), 4109-4117, 2012 | 74 | 2012 |
| Atomic softness‐based QSAR study of testosterone HK Srivastava, FA Pasha, PP Singh International journal of quantum chemistry 103 (3), 237-245, 2005 | 70 | 2005 |
| Viability of Clathrate Hydrates as CO2 Capturing Agents: A Theoretical Study HK Srivastava, GN Sastry The Journal of Physical Chemistry A 115 (26), 7633-7637, 2011 | 60 | 2011 |
| QSAR study of estrogens with the help of PM3‐based descriptors FA Pasha, HK Srivastava, PP Singh International journal of quantum chemistry 104 (1), 87-100, 2005 | 59 | 2005 |
| Selective Catalytic Synthesis of α-Alkylated Ketones and β-Disubstituted Ketones via Acceptorless Dehydrogenative Cross-Coupling of Alcohols D Bhattacharyya, BK Sarmah, S Nandi, HK Srivastava, A Das Organic Letters 23 (3), 869-875, 2021 | 51 | 2021 |
| Metal-Free Sequential C(sp2)–H/OH and C(sp3)–H Aminations of Nitrosoarenes and N-Heterocycles to Ring-Fused Imidazoles A Purkait, SK Roy, HK Srivastava, CK Jana Organic letters 19 (10), 2540-2543, 2017 | 50 | 2017 |
| Synthesis of bis-1, 2, 3-triazolo-bridged unsymmetrical pyrrolobenzodiazepine trimers via ‘click’chemistry and their DNA-binding studies A Kamal, N Shankaraiah, CR Reddy, S Prabhakar, N Markandeya, ... Tetrahedron 66 (29), 5498-5506, 2010 | 47 | 2010 |
| Iron-Catalyzed Arene C–H Amidation Using Functionalized Hydroxyl Amines at Room Temperature AVG Prasanthi, S Begum, HK Srivastava, SK Tiwari, R Singh ACS Catalysis 8 (9), 8369-8375, 2018 | 46 | 2018 |
| Solvent-Free N-Alkylation and Dehydrogenative Coupling Catalyzed by a Highly Active Pincer-Nickel Complex V Arora, M Dutta, K Das, B Das, HK Srivastava, A Kumar Organometallics 39 (11), 2162-2176, 2020 | 42 | 2020 |
| Analogue-based approaches in anti-cancer compound modelling: the relevance of QSAR models MH Bohari, HK Srivastava, GN Sastry Organic and medicinal chemistry letters 1 (1), 1-12, 2011 | 42 | 2011 |
| DFT based atomic softness and its application in site selectivity PP Singh, FA Pasha, HK Srivastava QSAR & Combinatorial Science 22 (8), 843-851, 2003 | 41 | 2003 |
| Stereoelectronic Effect of Curved Aromatic Structures: Favoring the Unexpected endo Conformation of Benzylic‐Substituted Sumanene S Higashibayashi, S Onogi, HK Srivastava, GN Sastry, YT Wu, H Sakurai Angewandte Chemie 125 (28), 7455-7457, 2013 | 39 | 2013 |
G. Narahari SastryCSIR-NEISTVerified email at neist.res.in
