TransportTools: A library for high-throughput analyses of internal voids in biomolecules and ligand transport through them J Brezovsky, AS Thirunavukarasu, B Surpeta, CE Sequeiros-Borja, ... Bioinformatics 38 (6), 1752-1753, 2022 | 11 | 2022 |
Incorporating Prior Knowledge in the Seeds of Adaptive Sampling Molecular Dynamics Simulations of Ligand Transport in Enzymes with Buried Active Sites DK Sarkar, B Surpeta, J Brezovsky Journal of Chemical Theory and Computation, 2024 | 1 | 2024 |
Nano-structured Hydrotrope-Caged Cytochrome c with Boosted Stability in Harsh Environments: A Molecular Insight P Bharadwaj, DK Sarkar, M Bisht, SM Shet, NS Kotrappanavar, V Lokesh, ... Green Chemistry 25 (17), 6666-6676, 2023 | 1 | 2023 |
Suitability of Adenosine Derivatives in Improving the Activity and Stability of Cytochrome c under Stress: Insights into the Effect of Phosphate Groups P Bharadwaj, SM Shet, M Bisht, DK Sarkar, G Franklin, ... The Journal of Physical Chemistry B 128 (1), 86-95, 2023 | | 2023 |
Atomic visualization of flipped‐back conformations of high mannose glycans interacting with cargo lectins: An MD simulation perspective NG Jayaprakash, DK Sarkar, A Surolia Proteins: Structure, Function, and Bioinformatics, 2023 | | 2023 |
Analysis of substrate exchange between bulk solvent and buried enzyme active site via multiple molecular tunnels using high-throughput simulations JB DK Sarkar 45th FEBS Congress, Molecules of Life: Toward New Horizons, Ljubljana …, 2021 | | 2021 |
Molecular dynamics simulations on the binding of N-acetyl ornithine to ArgJ of Mycobacterium tuberculosis in the presence of ANS inhibitor DK Sarkar VIT University, Vellore, 2017 | | 2017 |