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The Journal of Physical Chemistry Letters|January 14, 2026
Characterizing RNA Tetramer Conformational Landscape Using Explainable Machine LearningSompriya Chatterjee, Dhiman RayProceedings of the National Academy of Sciences of the United States of America|February 27, 2024
Data-driven classification of ligand unbinding pathwaysDhiman Ray, Michele ParrinelloThe Journal of Physical Chemistry Letters|April 3, 2020
Data-Driven Collective Variables for Enhanced SamplingLuigi Bonati, Valerio Rizzi, Michele ParrinelloNature Communications|September 16, 2022
Water regulates the residence time of Benzamidine in TrypsinNarjes Ansari, Valerio Rizzi, Michele ParrinelloProceedings of the National Academy of Sciences of the United States of America|October 9, 2019
Path integral molecular dynamics for bosonsBarak Hirshberg, Valerio Rizzi, Michele ParrinelloThe Journal of Physical Chemistry Letters|February 4, 2022
Discover, Sample, and Refine: Exploring Chemistry with Enhanced Sampling TechniquesUmberto Raucci, Valerio Rizzi, Michele ParrinelloThe Journal of Chemical Physics|May 22, 2023
Deep learning collective variables from transition path ensembleDhiman Ray, Enrico Trizio, Michele ParrinelloProceedings of the National Academy of Sciences of the United States of America|December 4, 2025
Data-driven enhanced sampling of mechanistic pathwaysRevanth Elangovan, Sompriya Chatterjee, Dhiman RayProceedings of the National Academy of Sciences of the United States of America|October 7, 2021
Distant residues modulate conformational opening in SARS-CoV-2 spike proteinDhiman Ray, Ly Le, Ioan AndricioaeiCarbohydrate Polymers|September 27, 2014
Influence of sodium carboxymethylcellulose on the aggregation behavior of aqueous 1-hexadecyl-3-methylimidazolium chloride solutionsBijan Das, Dhiman Ray, Ranjit DePageof 6