Molecular dynamics simulations and experimental studies reveal differential permeability of withaferin-A and withanone across the model cell membrane R Wadhwa, NS Yadav, SP Katiyar, T Yaguchi, C Lee, H Ahn, CO Yun, ... Scientific reports 11 (1), 2352, 2021 | 34 | 2021 |
Finding potent inhibitors for COVID-19 main protease (Mpro): an in silico approach using SARS-CoV-3CL protease inhibitors for combating CORONA M Motiwale, NS Yadav, S Kumar, T Kushwaha, G Choudhir, S Sharma, ... Journal of Biomolecular Structure and Dynamics 40 (4), 1534-1545, 2022 | 27 | 2022 |
Role of Ser65, His148 and Thr203 in the organic solvent‐dependent spectral shift in green fluorescent protein J Kaur, NS Yadav, MK Singh, MJ Khan, S Sen, A Dixit, D Choudhury Photochemistry and Photobiology 95 (2), 543-555, 2019 | 11 | 2019 |
Conformational perturbation of peptides in presence of polar organic solvents NS Yadav, D Choudhury Journal of Molecular Graphics and Modelling 89, 1-12, 2019 | 10 | 2019 |
Molecular basis of structural stability of Irisin: A combined molecular dynamics simulation and in vitro studies for Urea-induced denaturation R Waseem, NS Yadav, T Khan, F Ahmad, SN Kazim, MI Hassan, ... Journal of Molecular Liquids 372, 121120, 2023 | 5 | 2023 |
A statistical geometry analysis of simulated water-DMSO and water-MeCN binary mixtures for biomolecular studies NS Yadav, D Choudhury Bioinformation 14 (7), 350, 2018 | 5 | 2018 |
Structural and functional analysis of protein NS Yadav, P Kumar, I Singh Bioinformatics, 189-206, 2022 | 3 | 2022 |
Designing Self-Inhibitory fusion peptide analogous to viral spike protein against novel severe acute respiratory syndrome (SARS-CoV-2) I Singh, S Singh, KK Ojha, NS Yadav Journal of Biomolecular Structure and Dynamics 40 (21), 11357-11372, 2022 | | 2022 |