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Journal of Chemical Theory and Computation|December 15, 2021
Markovian Weighted Ensemble Milestoning (M-WEM): Long-Time Kinetics from Short TrajectoriesDhiman Ray, Sharon Emily Stone, Ioan Andricioaei
The Journal of Physical Chemistry. A|June 8, 2018
Controlling Heterogeneous Catalysis of Water Dissociation Using Cu-Ni Bimetallic Alloy Surfaces: A Quantum Dynamics StudyDhiman Ray, Smita Ghosh, Ashwani K Tiwari
Chemical Science|July 8, 2022
Point mutations in SARS-CoV-2 variants induce long-range dynamical perturbations in neutralizing antibodiesDhiman Ray, Riley Nicolas Quijano, Ioan Andricioaei
The Journal of Chemical Physics|April 8, 2023
Predicting residue cooperativity during protein folding: A combined, molecular dynamics and unsupervised learning approachPraveen Ranganath Prabhakar, Dhiman Ray, Ioan Andricioaei
Carbohydrate Polymers|April 11, 2015
Sodium carboxymethylcellulose-induced aggregation of 1-decyl-3-methylimidazolium chloride in aqueous solutionsDhiman Ray, Sourav Das, Ranjit De, et al.
The Journal of Chemical Physics|October 23, 2020
Kinetics and free energy of ligand dissociation using weighted ensemble milestoningDhiman Ray, Trevor Gokey, David L Mobley, et al.
Physical Chemistry Chemical Physics : PCCP|July 10, 2026
Conformational landscape of 2-aminopurine-substituted RNA oligonucleotides from machine-learning-driven enhanced samplingRevanth Elangovan, Emily Stetson, Julia R Widom, et al.
Journal of Chemical Theory and Computation|October 4, 2022
Rare Event Kinetics from Adaptive Bias Enhanced SamplingDhiman Ray, Narjes Ansari, Valerio Rizzi, et al.
Journal of Chemical Theory and Computation|June 26, 2024
A Stochastic Landscape Approach for Protein Folding State ClassificationMichael Faran, Dhiman Ray, Shubhadeep Nag, et al.
The Journal of Physical Chemistry. B|June 28, 2024
Molecular Insights into the Conformational and Binding Behaviors of Human Serum Albumin Induced by Surface-Active Ionic LiquidsDhiman Ray, Dipak Chamlagai, Sugam Kumar, et al.
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