| Biodegradation of phthalic acid esters (PAEs) and in silico structural characterization of mono-2-ethylhexyl phthalate (MEHP) hydrolase on the basis of close structural homolog N Singh, V Dalal, JK Mahto, P Kumar Journal of hazardous materials 338, 11-22, 2017 | 117 | 2017 |
| Structure-Based Identification of Potential Drugs Against FmtA of Staphylococcus aureus: Virtual Screening, Molecular Dynamics, MM-GBSA, and QM/MM V Dalal, P Dhankhar, V Singh, V Singh, G Rakhaminov, D Golemi-Kotra, ... The protein journal 40, 148-165, 2021 | 91 | 2021 |
| Identification of potential inhibitors for LLM of Staphylococcus aureus: structure-based pharmacophore modeling, molecular dynamics, and binding free energy … R Kumari, V Dalal Journal of Biomolecular Structure and Dynamics 40 (20), 9833-9847, 2022 | 84 | 2022 |
| Characterization of dye-decolorizing peroxidase from Bacillus subtilis P Dhankhar, V Dalal, JK Mahto, BR Gurjar, S Tomar, AK Sharma, ... Archives of Biochemistry and Biophysics 693, 108590, 2020 | 77 | 2020 |
| Structural-based virtual screening and identification of novel potent antimicrobial compounds against YsxC of Staphylococcus aureus R Kumari, R Rathi, SR Pathak, V Dalal Journal of Molecular Structure 1255, 132476, 2022 | 70 | 2022 |
| Repurposing an ancient protein core structure: Structural studies on FmtA, a novel esterase of Staphylococcus aureus V Dalal, P Kumar, G Rakhaminov, A Qamar, X Fan, H Hunter, S Tomar, ... Journal of molecular biology 431 (17), 3107-3123, 2019 | 64 | 2019 |
| Oxidative stress in autoimmune diseases: an under dealt malice S Ramani, A Pathak, V Dalal, A Paul, S Biswas Current Protein and Peptide Science 21 (6), 611-621, 2020 | 55 | 2020 |
| Computational guided identification of novel potent inhibitors of N-terminal domain of nucleocapsid protein of severe acute respiratory syndrome coronavirus 2 P Dhankhar, V Dalal, V Singh, S Tomar, P Kumar Journal of Biomolecular Structure and Dynamics 40 (9), 4084-4099, 2022 | 51 | 2022 |
| Structure based mimicking of Phthalic acid esters (PAEs) and inhibition of hACMSD, an important enzyme of the tryptophan kynurenine metabolism pathway N Singh, V Dalal, P Kumar International journal of biological macromolecules 108, 214-224, 2018 | 51 | 2018 |
| In-silico approach to identify novel potent inhibitors against GraR of S. aureus P Dhankhar, V Dalal, D Golemi-Kotra, P Kumar Frontiers in Bioscience-Landmark 25 (7), 1337-1360, 2020 | 47 | 2020 |
| Structure-based mimicking of hydroxylated biphenyl congeners (OHPCBs) for human transthyretin, an important enzyme of thyroid hormone system R Kumari, P Dhankhar, V Dalal Journal of Molecular Graphics and Modelling 105, 107870, 2021 | 42 | 2021 |
| Molecular docking and dynamic approach to virtual screen inhibitors against Esbp of Candidatus Liberibacter asiaticus G Saini, V Dalal, BK Savita, N Sharma, P Kumar, AK Sharma Journal of Molecular Graphics and Modelling 92, 329-340, 2019 | 41 | 2019 |
| Structural insights into Entamoeba histolytica arginase and structure‐based identification of novel non‐amino acid based inhibitors as potential antiamoebic … A Malik, V Dalal, S Ankri, S Tomar The FEBS journal 286 (20), 4135-4155, 2019 | 41 | 2019 |
| Screening and Identification of Natural Product‐Like Compounds as Potential Antibacterial Agents Targeting FemC of Staphylococcus aureus: An in‐Silico Approach V Dalal, R Kumari ChemistrySelect 7 (42), e202201728, 2022 | 37 | 2022 |
| Quantum Mechanics/Molecular Mechanics Studies on the Catalytic Mechanism of a Novel Esterase (FmtA) of Staphylococcus aureus V Dalal, D Golemi-Kotra, P Kumar Journal of Chemical Information and Modeling 62 (10), 2409-2420, 2022 | 36 | 2022 |
| Structural characterization and in-silico analysis of Momordica charantia 7S globulin for stability and ACE inhibition P Kesari, S Pratap, P Dhankhar, V Dalal, M Mishra, PK Singh, H Chauhan, ... Scientific reports 10 (1), 1160, 2020 | 36 | 2020 |
| Molecular docking and simulation analysis for elucidation of toxic effects of dicyclohexyl phthalate (DCHP) in glucocorticoid receptor-mediated adipogenesis N Singh, V Dalal, P Kumar Molecular Simulation 46 (1), 9-21, 2020 | 35 | 2020 |
| In-silico functional and structural annotation of hypothetical protein from Klebsiella pneumonia: A potential drug target V Singh, P Dhankhar, V Dalal, S Tomar, P Kumar Journal of Molecular Graphics and Modelling 116, 108262, 2022 | 34 | 2022 |
| Structure of dye-decolorizing peroxidase from Bacillus subtilis in complex with veratryl alcohol P Dhankhar, V Dalal, V Singh, AK Sharma, P Kumar International Journal of Biological Macromolecules 193, 601-608, 2021 | 34 | 2021 |
| Promising antivirals for PLpro of SARS-CoV-2 using virtual screening, molecular docking, dynamics, and MMPBSA R Kumari, V Kumar, P Dhankhar, V Dalal Journal of Biomolecular Structure and Dynamics 41 (10), 4650-4666, 2023 | 33 | 2023 |
Pravindra KumarProfessor at Indian Institute of Technology RoorkeeVerified email at bt.iitr.ac.in
