| Isatin and its derivatives: a survey of recent syntheses, reactions, and applications V Chahal, S Nirwan, R Kakkar Medicinal Chemistry Communications 10 (3), 351-368, 2019 | 228* | 2019 |
| Thiazolidinones: Synthesis, reactivity, and their biological applications S Nirwan, V Chahal, R Kakkar Journal of Heterocyclic Chemistry 56 (4), 1239-1253, 2019 | 83 | 2019 |
| Identification of potent human carbonic anhydrase IX inhibitors: a combination of pharmacophore modeling, 3D-QSAR, virtual screening and molecular dynamics simulations V Chahal, S Nirwan, M Pathak, R Kakkar Journal of Biomolecular Structure and Dynamics 40 (10), 4516-4531, 2022 | 10 | 2022 |
| A comparative study of the binding modes of SLC-0111 and its analogues in the hCA II and hCA IX active sites using QM/MM, molecular docking, MM-GBSA and MD approaches V Chahal, S Nirwan, R Kakkar Biophysical Chemistry 265, 106439, 2020 | 10 | 2020 |
| Structure-based virtual screening, free energy of binding and molecular dynamics simulations to propose novel inhibitors of Mtb-MurB oxidoreductase enzyme Sonam, V Chahal, R Kakkar Journal of Biomolecular Structure and Dynamics, 2020 | 10* | 2020 |
| Combined approach of homology modeling, molecular dynamics, and docking: computer-aided drug discovery V Chahal, S Nirwan, R Kakkar Physical Sciences Reviews 4 (10), 20190066, 2019 | 10 | 2019 |
| Theoretical study of the structural features and antioxidant potential of 4-thiazolidinones Sonam, V Chahal, R Kakkar Structural Chemistry 31, 1599-1608, 2020 | 9 | 2020 |
| A combination strategy of structure-based virtual screening, MM-GBSA, cross docking, molecular dynamics and metadynamics simulations used to investigate natural compounds as … V Chahal, R Kakkar Journal of biomolecular Structure & Dynamics, 1-16, 2022 | 8 | 2022 |
| Theoretical investigation of the structural and electronic features of SLC-0111, a novel inhibitor of human carbonic anhydrase IX, and its anion V Chahal, R Kakkar Structural Chemistry, 2021 | 4 | 2021 |
| A comparative study of different docking methodologies to assess the protein–ligand interaction for the E. coli MurB enzyme S Nirwan, V Chahal, R Kakkar Journal of Biomolecular Structure and Dynamics 40 (21), 11229-11238, 2022 | 1 | 2022 |
| Synthesis of β-amino alcohols from D-glucose and their molecular docking studies against β1- and β2- adrenoreceptors V Verma, VK Maikhuri, V Chahal Synthetic Communications 53 (16), 1339-1350, 2023 | | 2023 |
| Computational Chemistry Methods | | 2020 |
| The electronic, structural and nonlinear optical properties of licochalcone L in the aqueous solution and gaseous phase: A DFT study A MİTTAL, M NAGPAL, V CHAHAL, VK VASHİSTHA Turkish Computational and Theoretical Chemistry 8 (2), 48-60, 0 | | |
