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The Journal of Physical Chemistry. B|April 29, 2017
Direct Determination of Site-Specific Noncovalent Interaction Strengths of Proteins from NMR-Derived Fast Side Chain Motional ParametersRajitha Rajeshwar T, Marimuthu Krishnan
Proteins|April 11, 2022
Structural patterns in class 1 major histocompatibility complex-restricted nonamer peptide binding to T-cell receptorsRajitha Rajeshwar T, Jeremy C Smith
Journal of the American Chemical Society|May 22, 2014
Hidden regularity and universal classification of fast side chain motions in proteinsRajitha Rajeshwar T, Jeremy C Smith, Marimuthu Krishnan
Journal of Chemical Information and Modeling|November 16, 2023
Comparative Assessment of Pose Prediction Accuracy in RNA-Ligand DockingRupesh Agarwal, Rajitha Rajeshwar T, Jeremy C Smith
Nature Communications|August 4, 2023
Membrane mediated mechanical stimuli produces distinct active-like states in the AT1 receptorBharat Poudel, Rajitha Rajeshwar T, Juan M Vanegas
The Journal of Physical Chemistry. B|August 23, 2021
Correlated Response of Protein Side-Chain Fluctuations and Conformational Entropy to Ligand BindingRajitha Rajeshwar T, Moumita Saharay, Jeremy C Smith, et al.
Biophysical Journal|December 17, 2020
Mechanical Activation of MscL Revealed by a Locally Distributed Tension Molecular Dynamics ApproachRajitha Rajeshwar T, Andriy Anishkin, Sergei Sukharev, et al.
Frontiers in Immunology|September 2, 2024
TCR-H: explainable machine learning prediction of T-cell receptor epitope binding on unseen datasetsRajitha Rajeshwar T, Omar N A Demerdash, Jeremy C Smith
Biophysical Journal|December 12, 2025
Allosteric prediction via convolutional neural networks and protein structural and dynamical featuresRajitha Rajeshwar T, John H Lagergren, Jeremy C Smith, et al.
Communications Chemistry|November 8, 2024
Rotaxanes with a photoresponsive macrocycle modulate the lipid bilayers of large and giant unilamellar vesiclesUdyogi N K Conthagamage, Rajitha Rajeshwar T, Stijn van der Ham, et al.
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