Comparative Assessment of Pose Prediction Accuracy in RNA–Ligand Docking von Agarwal, Rupesh, T., Rajitha Rajeshwar, Smith, Jeremy C.

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Membrane mediated mechanical stimuli produces distinct active-like states in the AT1 receptor von Poudel, Bharat, Rajeshwar T, Rajitha, Vanegas, Juan M.

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Structural patterns in class 1 major histocompatibility complex‐restricted nonamer peptide binding to T‐cell receptors von T., Rajitha Rajeshwar, Smith, Jeremy C.

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Correlated Response of Protein Side-Chain Fluctuations and Conformational Entropy to Ligand Binding von T, Rajitha Rajeshwar, Saharay, Moumita, Smith, Jeremy C, Krishnan, Marimuthu

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TCR-H: explainable machine learning prediction of T-cell receptor epitope binding on unseen datasets von T, Rajitha Rajeshwar, Demerdash, Omar N A, Smith, Jeremy C

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Direct Determination of Site-Specific Noncovalent Interaction Strengths of Proteins from NMR-Derived Fast Side Chain Motional Parameters von Rajeshwar T, Rajitha, Krishnan, Marimuthu

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Hidden Regularity and Universal Classification of Fast Side Chain Motions in Proteins von T, Rajitha Rajeshwar, Smith, Jeremy C, Krishnan, Marimuthu

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SARS-CoV2 billion-compound docking von Rogers, David M., Agarwal, Rupesh, Vermaas, Josh V., Smith, Micholas Dean, Rajeshwar, Rajitha T., Cooper, Connor, Sedova, Ada, Boehm, Swen, Baker, Matthew, Glaser, Jens, Smith, Jeremy C.

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Rotaxanes with a photoresponsive macrocycle modulate the lipid bilayers of large and giant unilamellar vesicles von Conthagamage, Udyogi N. K., Rajeshwar T, Rajitha, van der Ham, Stijn, Akhtar, Nasim, Davis, Macallister L., Jayawardana, Senuri G., Lopez, Lilia, Vutukuri, Hanumantha Rao, Smith, Jeremy C., Smith, Micholas Dean, García-López, Víctor

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Mechanical Activation of MscL Revealed by a Locally Distributed Tension Molecular Dynamics Approach von Rajeshwar T., Rajitha, Anishkin, Andriy, Sukharev, Sergei, Vanegas, Juan M.

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Physics-informed machine learning to predict solvatochromic parameters of designer solvents with case studies in CO2 and lignin dissolution von Mohan, Mood, Gugulothu, Nikhitha, Guggilam, Sreelekha, Rajitha, Rajeshwar T., Kidder, Michelle K., Smith, Jeremy C.

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