Dhiman Ray

23PUBLICATIONS

35CO-AUTHORS

Biologically active moleculesEvolutionary impacts of climate changeStatistical mechanics in chemistryAdversarial machine learningChemical and thermal processes in energy and combustion

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Publications (23)

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|Jul 10, 2026

Conformational landscape of 2-aminopurine-substituted RNA oligonucleotides from machine-learning-driven enhanced sampling.

|Apr 17, 2026

Explainable Machine Learning Guided Enhanced Sampling of Protein Conformational Transition in HSP90.

|Mar 13, 2026

Free energy landscapes of host-guest binding from adaptive bias enhanced sampling.

Revanth Elangovan, Dhiman Ray

|Jan 14, 2026

Characterizing RNA Tetramer Conformational Landscape Using Explainable Machine Learning.

Sompriya Chatterjee, Dhiman Ray

|Dec 04, 2025

Data-driven enhanced sampling of mechanistic pathways.

Revanth Elangovan, Sompriya Chatterjee, Dhiman Ray

|Aug 19, 2025

Discriminant analysis optimizes progress coordinate in weighted ensemble simulations of rare event kinetics.

Praveen Ranganath Prabhakar, Dhiman Ray, Ioan Andricioaei

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Frequent Collaborators

Michele Parrinello

Sompriya Chatterjee

Revanth Elangovan

Ioan Andricioaei

Umberto Raucci

Valerio Rizzi

Praveen Ranganath Prabhakar

2 joint publications

Gili Bisker

1 joint publications

Michele Invernizzi

1 joint publications

Jeremy M G Leung

Frequent Collaborators

Michele Parrinello

Sompriya Chatterjee

Revanth Elangovan

Ioan Andricioaei