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)

|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

4 joint publications

Michele Parrinello

3 joint publications

Sompriya Chatterjee

3 joint publications

Revanth Elangovan

3 joint publications

Ioan Andricioaei