| Structure of human steroid 5α-reductase 2 with the anti-androgen drug finasteride Q Xiao, L Wang, S Supekar, T Shen, H Liu, F Ye, J Huang, H Fan, Z Wei, ... Nature communications 11 (1), 5430, 2020 | 71 | 2020 |
| A Protonated Water Cluster as a Transient Proton‐Loading Site in Cytochrome c Oxidase S Supekar, AP Gamiz‐Hernandez, VRI Kaila Angewandte Chemie International Edition 55 (39), 11940-11944, 2016 | 46 | 2016 |
| Distribution of residence time of water around DNA base pairs: governing factors and the origin of heterogeneity D Saha, S Supekar, A Mukherjee The Journal of Physical Chemistry B 119 (34), 11371-11381, 2015 | 40 | 2015 |
| Predicting and designing therapeutics against the Nipah virus N Sen, TR Kanitkar, AA Roy, N Soni, K Amritkar, S Supekar, S Nair, ... PLoS neglected tropical diseases 13 (12), e0007419, 2019 | 23 | 2019 |
| Dewetting transitions coupled to K-channel activation in cytochrome c oxidase S Supekar, VRI Kaila Chemical Science 9 (32), 6703-6710, 2018 | 21 | 2018 |
| The SDHB Arg230His mutation causing familial paraganglioma alters glycolysis in a new Caenorhabditis elegans model É Saskői, Z Hujber, G Nyírő, I Likó, B Mátyási, G Petővári, K Mészáros, ... Disease models & mechanisms 13 (10), dmm044925, 2020 | 13 | 2020 |
| Pro-phagocytic function and structural basis of GPR84 signaling X Zhang, Y Wang, S Supekar, X Cao, J Zhou, J Dang, S Chen, L Jenkins, ... Nature Communications 14 (1), 5706, 2023 | 9 | 2023 |
| Directed computational evolution of quorum-quenching lactonases from the amidohydrolase superfamily MK Go, LN Zhao, B Xue, S Supekar, RC Robinson, H Fan, WS Yew Structure 28 (6), 635-642. e3, 2020 | 6 | 2020 |
| Conformational selection of dimethylarginine recognition by the survival motor neuron tudor domain S Supekar, AC Papageorgiou, G Gemmecker, R Peltzer, MP Johansson, ... Angewandte Chemie International Edition 57 (2), 486-490, 2018 | 4 | 2018 |
| Directed evolution and computational modeling of galactose oxidase toward bulky benzylic and alkyl secondary alcohols WL Yeo, DWP Tay, JMT Miyajima, S Supekar, TM Teh, J Xu, YL Tan, ... ACS Catalysis 13 (24), 16088-16096, 2023 | 3 | 2023 |
| Directed Evolution and Predictive Modelling of Galactose Oxidase towards Bulky Benzylic and Unactivated Secondary Alcohols WL Yeo, DWP Tay, JMT Miyajima, S Supekar, TM Teh, J Xu, YL Tan, ... | | 2023 |
| Predicting and designing therapeutics against the Nipah virus K AMRITKAR, MS MADHUSUDHAN, N SEN, N SONI, TR KANITKAR, ... Public Library Science, 2019 | | 2019 |
| Redox-coupled Proton Transfer Dynamics in Cytochrome C Oxidase S Supekar Technische Universität München, 2017 | | 2017 |
| Distribution of Residence Time of Water around DNA Base Pairs: Governing Factors and the Origin of Heterogeneity S Supekar, D Saha, A MUKHERJEE American Chemical Society, 2015 | | 2015 |
| Sequence Dependent Localized Distribution of Various Water Dynamics in the Grooves of DNA S Supekar | | 2013 |
| Structure and Dynamics of Respiratory Complex I VRI Kaila, A Di Luca, S Supekar, AP Gamiz-Hernandez High Performance Computing, 220, 0 | | |
| Redox-coupled Proton Transfer Dynamics in Cytochrome c Oxidase VRI Kaila, S Supekar, AP Gamiz-Hernandez High Performance Computing, 244, 0 | | |
