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D

Dhiman Ray

university of oregon

16H-index
80Paper Count
796Citation Count
Published Papers 29
Publication Date
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Explainable Machine Learning Guided Enhanced Sampling of Protein Conformational Transition in HSP90
errJournal of Chemical Theory and Computation
IF5.5
err2026-04-17
err0
PREAI
errSompriya Chatterjee; Dhiman Ray
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Free energy landscapes of host–guest binding from adaptive bias enhanced sampling
errphys. chem. chem. phys.
IF0
err2026-03-13
err0
PREAI
errRevanth Elangovan; Dhiman Ray
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errSave
Characterizing RNA Tetramer Conformational Landscape Using Explainable Machine Learning
errJOURNAL OF PHYSICAL CHEMISTRY LETTERS
IF4.6
err2026-01-01
err0
PREAI
errChatterjee, Sompriya; Ray, Dhiman
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errSave
Data efficient learning of molecular slow modes from nonequilibrium metadynamics
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-04-22
err0
PREAI
errHanni, Jack; Ray, Dhiman
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errSave
Acceleration with Interpretability: A Surrogate Model-Based Collective Variable for Enhanced Sampling
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-02-04
err0
PREAI
errChatterjee, Sompriya; Ray, Dhiman
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errSave
Enhanced Sampling with Suboptimal Collective Variables: Reconciling Accuracy and Convergence Speed
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-12-27
err1
PREAI
errRay, Dhiman; Rizzi, Valerio
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errSave
Integrating path sampling with enhanced sampling for rare-event kinetics
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-12-09
err0
PREAI
errRay, Dhiman
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errSave
A Stochastic Landscape Approach for Protein Folding State Classification (vol 20, pg 5428, 2024)
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-06-26
err0
errOAAI
errFaran, Michael; Ray, Dhiman; Nag, Shubhadeep; Raucci, Umberto; Parrinello, Michele; Bisker, Gili
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errSave
A Stochastic Landscape Approach for Protein Folding State Classification
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-06-26
err3
errOAAI
errFaran, Michael; Ray, Dhiman; Nag, Shubhadeep; Raucci, Umberto; Parrinello, Michele; Bisker, Gili
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errSave
Kinetic View of Enzyme Catalysis from Enhanced Sampling QM/MM Simulations
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-04-12
err7
PREAI
errRay, Dhiman; Das, Sudip; Raucci, Umberto
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errSave
Data-driven classification of ligand unbinding pathways
errPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF9.1
err2024-02-27
err5
errOAAI
errRay, Dhiman; Parrinello, Michele
errShare
errSave
Fluorescence based studies on the interaction and characterization of surface-active ionic liquids with polarity sensitive intramolecular charge transfer probe
errCHEMICAL PHYSICS IMPACT
IF4.3
err2023-12-01
err2
errOAAI
errRay, Dhiman; Chamlagai, Dipak; Kumar, Sugam; Aswal, Vinod K.; Mitra, Sivaprasad
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errSave
Kinetics from Metadynamics: Principles, Applications, and Outlook
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-08-16
err50
PREAI
errRay, Dhiman; Parrinello, Michele
errShare
errSave
Deep learning collective variables from transition path ensemble
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-05-22
err29
errOAAI
errRay, Dhiman; Trizio, Enrico; Parrinello, Michele
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errSave
Predicting residue cooperativity during protein folding: A combined, molecular dynamics and unsupervised learning approach
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-04-07
err3
PREAI
errPrabhakar, Praveen Ranganath; Ray, Dhiman; Andricioaei, Ioan
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errSave
Modulation of drug binding ability and augmented enzymatic activity of lysozyme stabilized in presence of surface-active ionic liquids
errJOURNAL OF MOLECULAR LIQUIDS
IF5.2
err2022-12-01
err3
PREAI
errRay, Dhiman; Singh, Imocha Rajkumar; Bhatta, Anindita; Das, Abhinandan; Chakrabarty, Suman; Mitra, Sivaprasad
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errSave
Rare Event Kinetics from Adaptive Bias Enhanced Sampling
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-10-04
err36
errOAAI
errRay, Dhiman; Ansari, Narjes; Rizzi, Valerio; Invernizzi, Michele; Parrinello, Michele
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errSave
Force-Field-Dependent DNA Breathing Dynamics: A Case Study of Hoogsteen Base Pairing in A6-DNA
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2022-09-01
err6
errOAAI
errStone, Sharon Emily; Ray, Dhiman; Andricioaei, Ioan
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errSave
Point mutations in SARS-CoV-2 variants induce long-range dynamical perturbations in neutralizing antibodies
errCHEMICAL SCIENCE
IF7.4
err2022-01-01
err10
errOAAI
errRay, Dhiman; Quijano, Riley Nicolas; Andricioaei, Ioan
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errSave
Markovian Weighted Ensemble Milestoning (M-WEM): Long-Time Kinetics from Short Trajectories
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-12-15
err29
errOAAI
errRay, Dhiman; Stone, Sharon Emily; Andricioaei, Ioan
errShare
errSave

Research Directions

No research directions
Co-authors
Cooperation Journals
M
Michele Parrinello
H-index: 155 · Papers: 924
R
Robert J. Hamers
H-index: 96 · Papers: 572
Q
Qiang Cui
H-index: 81 · Papers: 765
D
David L. Mobley
H-index: 64 · Papers: 499
V
Vinod K. Aswal
H-index: 57 · Papers: 738
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