| ProtoCaller: robust automation of binding free energy calculations M Suruzhon, T Senapathi, MS Bodnarchuk, R Viner, ID Wall, CB Barnett, ... Journal of Chemical Information and Modeling 60 (4), 1917-1921, 2020 | 20 | 2020 |
| Intuitive, reproducible high-throughput molecular dynamics in Galaxy: a tutorial S Bray, T Senapathi, C Barnett, B Grüning Journal of Cheminformatics 12 (1), 54, 2020 | 16 | 2020 |
| Rice bran nanofiber composites for stabilization of phytase UA Rathnayake, T Senapathi, C Sandaruwan, S Gunawardene, ... Chemistry Central Journal 12, 1-7, 2018 | 14 | 2018 |
| Biomolecular reaction and interaction dynamics global environment (BRIDGE) T Senapathi, S Bray, CB Barnett, B Grüning, KJ Naidoo Bioinformatics 35 (18), 3508-3509, 2019 | 13 | 2019 |
| BRIDGE: an open platform for reproducible high-throughput free energy simulations T Senapathi, M Suruzhon, CB Barnett, J Essex, KJ Naidoo Journal of Chemical Information and Modeling 60 (11), 5290-5295, 2020 | 11 | 2020 |
| Multidimensional free energy and accelerated quantum library methods provide a gateway to glycoenzyme conformational, electronic, and reaction mechanisms KJ Naidoo, T Bruce-Chwatt, T Senapathi, M Hillebrand Accounts of Chemical Research 54 (22), 4120-4130, 2021 | 6 | 2021 |
| Comparative ligand structural analytics illustrated on variably glycosylated MUC1 antigen–antibody binding CB Barnett, T Senapathi, KJ Naidoo Beilstein Journal of Organic Chemistry 16 (1), 2540-2550, 2020 | 4 | 2020 |
| BRIDGE: an open platform for reproducible protein-ligand simulations and free energy of binding calculations T Senapathi, CB Barnett, KJ Naidoo Bio-protocol 10 (17), e3731-e3731, 2020 | 1 | 2020 |
| Enzyme Reaction Dynamics From Adaptive Reaction Coordinate Forces KJ Naidoo, T Bruce-Chwatt, T Senapathi Elsevier, 2023 | | 2023 |
Kevin J NaidooProfessor of Scientific Computing and Physical Chemistry, University of Cape Town, South AfricaVerified email at uct.ac.za
