Dhiman Ray
Affiliations: | University of California, Irvine, Irvine, CA |
Area:
Theoretical Chemistry, Computational BiophysicsGoogle:
"Dhiman Ray"Mean distance: (not calculated yet)
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Publications
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| Ray D, Parrinello M. (2023) Kinetics from Metadynamics: Principles, Applications, and Outlook. Journal of Chemical Theory and Computation |
| Bogetti AT, Leung JMG, Russo JD, et al. (2023) A Suite of Tutorials for the WESTPA 2.0 Rare-Events Sampling Software [Article v2.0]. Living Journal of Computational Molecular Science. 5 |
| Prabhakar PR, Ray D, Andricioaei I. (2023) Predicting residue cooperativity during protein folding: A combined, molecular dynamics and unsupervised learning approach. The Journal of Chemical Physics. 158: 134108 |
| Ray D, Ansari N, Rizzi V, et al. (2022) Rare Event Kinetics from Adaptive Bias Enhanced Sampling. Journal of Chemical Theory and Computation |
| Stone SE, Ray D, Andricioaei I. (2022) Force-Field-Dependent DNA Breathing Dynamics: A Case Study of Hoogsteen Base Pairing in A6-DNA. Journal of Chemical Information and Modeling |
| Ray D, Quijano RN, Andricioaei I. (2022) Point mutations in SARS-CoV-2 variants induce long-range dynamical perturbations in neutralizing antibodies. Chemical Science. 13: 7224-7239 |
| Ray D, Stone SE, Andricioaei I. (2021) Markovian Weighted Ensemble Milestoning (M-WEM): Long-Time Kinetics from Short Trajectories. Journal of Chemical Theory and Computation |
| Ray D, Le L, Andricioaei I. (2021) Distant residues modulate conformational opening in SARS-CoV-2 spike protein. Proceedings of the National Academy of Sciences of the United States of America. 118 |
| Ray D, Gokey T, Mobley DL, et al. (2020) Kinetics and free energy of ligand dissociation using weighted ensemble milestoning. The Journal of Chemical Physics. 153: 154117 |
| Ray D, Andricioaei I. (2020) Free Energy Landscape and Conformational Kinetics of Hoogsteen Base Pairing in DNA vs. RNA. Biophysical Journal |