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The Journal of Chemical Physics
|
December 9, 2024
Integrating path sampling with enhanced sampling for rare-event kinetics
Dhiman Ray
Journal of Chemical Theory and Computation
|
December 27, 2024
Enhanced Sampling with Suboptimal Collective Variables: Reconciling Accuracy and Convergence Speed
Dhiman Ray, Valerio Rizzi
The Journal of Chemical Physics
|
June 24, 2020
Weighted ensemble milestoning (WEM): A combined approach for rare event simulations
Dhiman Ray, Ioan Andricioaei
Biophysical Journal
|
September 18, 2020
Free Energy Landscape and Conformational Kinetics of Hoogsteen Base Pairing in DNA vs. RNA
Dhiman Ray, Ioan Andricioaei
Journal of Chemical Theory and Computation
|
February 5, 2025
Acceleration with Interpretability: A Surrogate Model-Based Collective Variable for Enhanced Sampling
Sompriya Chatterjee, Dhiman Ray
The Journal of Chemical Physics
|
April 22, 2025
Data efficient learning of molecular slow modes from nonequilibrium metadynamics
Jack Hanni, Dhiman Ray
Journal of Chemical Theory and Computation
|
August 16, 2023
Kinetics from Metadynamics: Principles, Applications, and Outlook
Dhiman Ray, Michele Parrinello
Journal of Chemical Theory and Computation
|
April 17, 2026
Explainable Machine Learning Guided Enhanced Sampling of Protein Conformational Transition in HSP90
Sompriya Chatterjee, Dhiman Ray
Physical Chemistry Chemical Physics : PCCP
|
March 13, 2026
Free energy landscapes of host-guest binding from adaptive bias enhanced sampling
Revanth Elangovan, Dhiman Ray
The Journal of Physical Chemistry Letters
|
January 14, 2026
Characterizing RNA Tetramer Conformational Landscape Using Explainable Machine Learning
Sompriya Chatterjee, Dhiman Ray
Page
of 4
Search research articles
Search
Showing results (1-10 of 32) with videos related to
Sort By:
Page
of 4
The Journal of Chemical Physics
|
December 9, 2024
Integrating path sampling with enhanced sampling for rare-event kinetics
Dhiman Ray
Journal of Chemical Theory and Computation
|
December 27, 2024
Enhanced Sampling with Suboptimal Collective Variables: Reconciling Accuracy and Convergence Speed
Dhiman Ray, Valerio Rizzi
The Journal of Chemical Physics
|
June 24, 2020
Weighted ensemble milestoning (WEM): A combined approach for rare event simulations
Dhiman Ray, Ioan Andricioaei
Biophysical Journal
|
September 18, 2020
Free Energy Landscape and Conformational Kinetics of Hoogsteen Base Pairing in DNA vs. RNA
Dhiman Ray, Ioan Andricioaei
Journal of Chemical Theory and Computation
|
February 5, 2025
Acceleration with Interpretability: A Surrogate Model-Based Collective Variable for Enhanced Sampling
Sompriya Chatterjee, Dhiman Ray
The Journal of Chemical Physics
|
April 22, 2025
Data efficient learning of molecular slow modes from nonequilibrium metadynamics
Jack Hanni, Dhiman Ray
Journal of Chemical Theory and Computation
|
August 16, 2023
Kinetics from Metadynamics: Principles, Applications, and Outlook
Dhiman Ray, Michele Parrinello
Journal of Chemical Theory and Computation
|
April 17, 2026
Explainable Machine Learning Guided Enhanced Sampling of Protein Conformational Transition in HSP90
Sompriya Chatterjee, Dhiman Ray
Physical Chemistry Chemical Physics : PCCP
|
March 13, 2026
Free energy landscapes of host-guest binding from adaptive bias enhanced sampling
Revanth Elangovan, Dhiman Ray
The Journal of Physical Chemistry Letters
|
January 14, 2026
Characterizing RNA Tetramer Conformational Landscape Using Explainable Machine Learning
Sompriya Chatterjee, Dhiman Ray
Page
of 4