Mechanical activation of MscL revealed by a locally distributed tension molecular dynamics approach RT Rajitha, A Anishkin, S Sukharev, JM Vanegas Biophysical journal 120 (2), 232-242, 2021 | 15 | 2021 |
Hidden regularity and universal classification of fast side chain motions in proteins RT Rajitha, JC Smith, M Krishnan J. Am. Chem. Soc 136, 8590-8605, 2014 | 14 | 2014 |
Correlated Response of Protein Side-Chain Fluctuations and Conformational Entropy to Ligand Binding RT Rajitha, M Saharay, JC Smith, M Krishnan The journal of physical chemistry. B, 2021 | 9 | 2021 |
SARS-CoV2 billion-compound docking DM Rogers, R Agarwal, JV Vermaas, MD Smith, RT Rajeshwar, C Cooper, ... Scientific Data 10 (1), 173, 2023 | 8 | 2023 |
Structural patterns in class 1 major histocompatibility complex-restricted nonamer peptide binding to T-cell receptors. T RR, JC Smith Proteins 90 (9), 1645-1654, 2022 | 3 | 2022 |
Membrane mediated mechanical stimuli produces distinct active-like states in the AT1 receptor B Poudel, R Rajeshwar T, JM Vanegas Nature Communications 14 (1), 4690, 2023 | 2 | 2023 |
Direct determination of site-specific noncovalent interaction strengths of proteins from NMR-derived fast side chain motional parameters RT Rajitha, M Krishnan The Journal of Physical Chemistry B 121 (20), 5174-5186, 2017 | 2 | 2017 |
Comparative Assessment of Pose Prediction Accuracy in RNA–Ligand Docking R Agarwal, R Rajeshwar T, JC Smith Journal of Chemical Information and Modeling, 2023 | 1 | 2023 |
TCR-H: Machine Learning Prediction of T-cell Receptor Epitope Binding on Unseen Datasets R Rajeshwar T., O Demerdash, JC Smith bioRxiv, 2023.11. 28.569077, 2023 | | 2023 |
Pose prediction accuracy in ligand docking to RNA R Agarwal, R Tatikonda, JC Smith bioRxiv, 2023.05. 22.541762, 2023 | | 2023 |
Membrane mediated mechanical stimuli produces distinct active states in the AT1 receptor B Poudel, RT Rajitha, J Vanegas | | 2022 |
Structural Patterns in Class 1 Major Histocompatability Complex‐restricted Nonamer Peptide Binding to T‐cell Receptors T Rajitha Rajeshwar, JC Smith Proteins: Structure, Function, and Bioinformatics, 2022 | | 2022 |
Mechanical Activation of MscL Revealed by a Locally Distributed Tension Molecular Dynamics Approach RR Tatikonda, A Anishkin, S Sukharev, JM Vanegas bioRxiv, 2020.08. 19.257485, 2020 | | 2020 |