| Advances in GPCR modeling evaluated by the GPCR Dock 2013 assessment: meeting new challenges I Kufareva, V Katritch, B Selvam, PGD 2013, RC Stevens, R Abagyan Structure 22 (8), 1120-1139, 2014 | 181 | 2014 |
| Crops In Silico: Generating Virtual Crops Using an Integrative and Multi-scale Modeling Platform A Marshall-Colon, SP Long, DK Allen, G Allen, DA Beard, B Benes, ... Frontiers in plant science 8, 786, 2017 | 116 | 2017 |
| Simulations of Biased Agonists in the β2 Adrenergic Receptor with Accelerated Molecular Dynamics IG Tikhonova, B Selvam, A Ivetac, J Wereszczynski, JA McCammon Biochemistry 52 (33), 5593-5603, 2013 | 54 | 2013 |
| Structural architecture of a dimeric class C GPCR based on co-trafficking of sweet taste receptor subunits J Park, B Selvam, K Sanematsu, N Shigemura, D Shukla, E Procko Journal of Biological Chemistry 294 (13), 4759-4774, 2019 | 53 | 2019 |
| Universality of the sodium ion binding mechanism in class AG‐protein‐coupled receptors B Selvam, Z Shamsi, D Shukla Angewandte Chemie 130 (12), 3102-3107, 2018 | 49 | 2018 |
| Free energy landscape of the complete transport cycle in a key bacterial transporter B Selvam, S Mittal, D Shukla ACS central science 4 (9), 1146-1154, 2018 | 43 | 2018 |
| Molecular basis of the glucose transport mechanism in plants B Selvam, YC Yu, LQ Chen, D Shukla ACS central science 5 (6), 1085-1096, 2019 | 42 | 2019 |
| The substrate import mechanism of the human serotonin transporter MC Chan, B Selvam, HJ Young, E Procko, D Shukla Biophysical journal 121 (5), 715-730, 2022 | 26 | 2022 |
| How do antiporters exchange substrates across the cell membrane? An atomic-level description of the complete exchange cycle in NarK J Feng, B Selvam, D Shukla Structure 29 (8), 922-933. e3, 2021 | 24 | 2021 |
| Imidacloprid and thiacloprid neonicotinoids bind more favourably to cockroach than to honeybee α6 nicotinic acetylcholine receptor: insights from computational studies B Selvam, J Graton, AD Laurent, Z Alamiddine, M Mathé-Allainmat, ... Journal of Molecular Graphics and Modelling 55, 1-12, 2015 | 23 | 2015 |
| Mechanistic origin of partial agonism of tetrahydrocannabinol for cannabinoid receptors S Dutta, B Selvam, A Das, D Shukla Journal of Biological Chemistry 298 (4), 2022 | 22 | 2022 |
| Distinct substrate transport mechanism identified in homologous sugar transporters KJ Cheng, B Selvam, LQ Chen, D Shukla The Journal of Physical Chemistry B 123 (40), 8411-8418, 2019 | 22 | 2019 |
| Comparison of Dynamics of Extracellular Accesses to the β1 and β2 Adrenoceptors Binding Sites Uncovers the Potential of Kinetic Basis of Antagonist Selectivity B Selvam, J Wereszczynski, IG Tikhonova Chemical biology & drug design 80 (2), 215-226, 2012 | 21 | 2012 |
| Identification and analysis of sugar transporters capable of co‐transporting glucose and xylose simultaneously N Kuanyshev, A Deewan, SS Jagtap, J Liu, B Selvam, LQ Chen, D Shukla, ... Biotechnology Journal 16 (11), 2100238, 2021 | 17 | 2021 |
| Interplay between TiO2 Surfaces and Organic Photochromes: A DFT Study of Adsorbed Azobenzenes and Diarylethenes KJ Chen, A Charaf-Eddin, B Selvam, F Boucher, AD Laurent, ... The Journal of Physical Chemistry C 119 (7), 3684-3696, 2015 | 17 | 2015 |
| Computational microscopy: Revealing molecular mechanisms in plants using molecular dynamics simulations J Feng, J Chen, B Selvam, D Shukla The Plant Cell 31 (12), 2019 | 16 | 2019 |
| Addressing selective polypharmacology of antipsychotic drugs targeting the bioaminergic receptors through receptor dynamic conformational ensembles B Selvam, SL Porter, IG Tikhonova Journal of chemical information and modeling 53 (7), 1761-1774, 2013 | 16 | 2013 |
| Distinct binding mechanisms for allosteric sodium ion in cannabinoid receptors S Dutta, B Selvam, D Shukla ACS Chemical Neuroscience 13 (3), 379-389, 2022 | 14 | 2022 |
| Application of hidden Markov models in biomolecular simulations S Shukla, Z Shamsi, AS Moffett, B Selvam, D Shukla Hidden Markov Models: Methods and Protocols, 29-41, 2017 | 10 | 2017 |
| Binding of Sulfoxaflor to Aplysia californica-AChBP: Computational Insights from Multiscale Approaches Z Alamiddine, B Selvam, J Graton, AD Laurent, E Landagaray, J Lebreton, ... Journal of Chemical Information and Modeling 59 (9), 3755-3769, 2019 | 9 | 2019 |
