Effect of work-function and morphology of heterostructure components on CO2 reduction photo-catalytic activity of MoS2-Cu2O heterostructure S Singh, R Punia, KK Pant, P Biswas Chemical Engineering Journal 433, 132709, 2022 | 55 | 2022 |
Computation of the protein conformational transition pathway on ligand binding by linear response-driven molecular dynamics R Punia, G Goel Journal of Chemical Theory and Computation 18 (5), 3268-3283, 2022 | 6 | 2022 |
Free Energy Surface and Molecular Mechanism of Slow Structural Transitions in Lipid Bilayers R Punia, G Goel Journal of Chemical Theory and Computation 19 (22), 8245-8257, 2023 | 1 | 2023 |
Free energy surface and molecular characterization of slow structural transitions in lipid bilayers R Punia, G Goel bioRxiv, 2023.06. 30.547217, 2023 | 1 | 2023 |
Selective virtual screening of hypoxia inducible factor agonists and antagonists using artificial intelligence and linear response theory R Punia, G Goel Biophysical Journal 122 (3), 51a, 2023 | | 2023 |
A linear response theory based method for prediction of large scale protein conformational changes upon ligand binding R Punia, G Goel bioRxiv, 2021.03. 09.434598, 2021 | | 2021 |
Refinement of Protein Homology Model by Enhanced Directional Sampling Guided by Bioinformatics R Punia, G Goel Biophysical Journal 120 (3), 20a, 2021 | | 2021 |