Synthesis, in vitro and computational studies of novel glycosyl-1, 2, 3-1H-triazolyl methyl benzamide derivatives as potential α-glucosidase inhibitory activity AK Shukla, MK Shrivash, A Pandey, J Pandey Bioorganic Chemistry 109, 104687, 2021 | 11 | 2021 |
Binding propensity and selectivity of cationic, anionic, and neutral guests with model hydrophobic hosts: A first principles study YB Kumar, A Pandey, N Kumar, GN Sastry Journal of Computational Chemistry 44 (3), 432-441, 2023 | 4 | 2023 |
Determination of hybrid TSPO ligands with minimal impact of SNP (rs6971) through molecular docking and MD simulation study A Adhikari, A Pandey, D Kumar, AK Tiwari Letters in Drug Design & Discovery 19 (6), 549-563, 2022 | 4 | 2022 |
Interaction, Dynamics and Stability Analysis of Some Minor Groove Binders With B-DNA Dodecamer 5’-(CGCAAATTTGCG)-3’ A Pandey, A Upadhyaya, S Kumar, AK Yadav Drug Des 10 (172), 2169-0138.20, 2020 | 3 | 2020 |
Tracing the transition from covalent to non-covalent functionalization of pyrene through C-, N-, and O-based ionic and radical substrates using quantum mechanical calculations A Pandey, N Kumar RSC advances 13 (21), 14119-14130, 2023 | 2 | 2023 |
In-silico studies of anti-tuberculosis drugs using advanced computational techniques A Pandey, B Panthi, S Kumar ChemRxiv, 2024 | | 2024 |
Computational Work on Designing of Membrane Materials Useful for Petroleum Industry A Pandey, S Hazarika Application of Membranes in the Petroleum Industry 1, 232-255, 2024 | | 2024 |
Free energy calculations reveal the interaction and stability of ligands in the vicinity of B-DNA dodecamer A Pandey, A Adhikari Main Group Chemistry 23 (1), 89-102, 2024 | | 2024 |
Discerning Potent CSF-1R inhibitors for Targeting and Therapy of Neuroinflammation using Computational Approaches A Adhikari, A Pandey Preprint, 2024 | | 2024 |