| Elimination of bitter-off taste of stevioside through structure modification and computational interventions V Bhardwaj, R Singh, P Singh, R Purohit, S Kumar Journal of Theoretical Biology 486, 110094, 2020 | 36 | 2020 |
| 3D-QSAR-based pharmacophore modeling, virtual screening, and molecular dynamics simulations for the identification of spleen tyrosine kinase inhibitors V Kumar, S Parate, Danishuddin, A Zeb, P Singh, G Lee, TS Jung, ... Frontiers in Cellular and Infection Microbiology 12, 909111, 2022 | 9 | 2022 |
| Pharmacophore-Oriented Identification of Potential Leads as CCR5 Inhibitors to Block HIV Cellular Entry P Singh, V Kumar, G Lee, TS Jung, MW Ha, JC Hong, KW Lee International Journal of Molecular Sciences 23 (24), 16122, 2022 | 5 | 2022 |
| Regioselective synthesis and molecular docking studies of functionalized imidazo [1,2‑a]pyridine derivatives through MCRs PS Maruti B Yadav Molecular Diversity 27, 2023 | 2* | 2023 |
| Uncovering potential CDK9 inhibitors from natural compound databases through docking-based virtual screening and MD simulations P Singh, V Kumar, TS Jung, JS Lee, KW Lee, JC Hong Journal of Molecular Modeling 30 (8), 267, 2024 | | 2024 |
| Discovery of Novel Allosteric SHP2 Inhibitor Using Pharmacophore-Based Virtual Screening, Molecular Docking, Molecular Dynamics Simulation, and Principal Component Analysis JCH Pooja Singh,Vikas Kumar,Keun Woo Lee Pharmaceuticals, 2024 | | 2024 |
| Unveiling the Mechanisms Underlying the Immunotherapeutic Potential of Gene–miRNA and Drugs in Head and Neck Cancer Danishuddin, MA Haque, MZ Malik, R Arya, P Singh, JS Lee, JJ Kim, ... Pharmaceuticals 17 (7), 921, 2024 | | 2024 |
| Computational insights into allosteric inhibition of focal adhesion kinase: A combined pharmacophore modeling and molecular dynamics approach V Kumar, P Singh, S Parate, R Singh, HS Ro, KS Song, KW Lee, YM Park Journal of Molecular Graphics and Modelling 130, 108789, 2024 | | 2024 |
Dr. Vikas kumarBCMaterials - Basque Center for Materials, Applications and Nanostructures在 bcmaterials.net 的电子邮件经过验证
