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Journal of Chemical Theory and Computation
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February 5, 2025
Acceleration with Interpretability: A Surrogate Model-Based Collective Variable for Enhanced Sampling
Sompriya Chatterjee, Dhiman Ray
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
The Journal of Physical Chemistry Letters
|
January 14, 2026
Characterizing RNA Tetramer Conformational Landscape Using Explainable Machine Learning
Sompriya Chatterjee, Dhiman Ray
Proceedings of the National Academy of Sciences of the United States of America
|
December 4, 2025
Data-driven enhanced sampling of mechanistic pathways
Revanth Elangovan, Sompriya Chatterjee, Dhiman Ray
Physical Chemistry Chemical Physics : PCCP
|
April 26, 2021
Molecular mechanism of amyloidogenicity and neurotoxicity of a pro-aggregated tau mutant in the presence of histidine tautomerism <i>via</i> replica-exchange simulation
Sompriya Chatterjee, Abbas Salimi, Jin Yong Lee
International Journal of Molecular Sciences
|
February 26, 2022
Mechanistic Insights into the Polymorphic Associations and Cross-Seeding of Aβ and hIAPP in the Presence of Histidine Tautomerism: An All-Atom Molecular Dynamic Study
Abbas Salimi, Sompriya Chatterjee, Jin Yong Lee
Archives of Biochemistry and Biophysics
|
May 12, 2023
Histidine tautomerism-mediated transthyretin amyloidogenesis: A molecular insight
Sompriya Chatterjee, Abbas Salimi, Jin Yong Lee
ACS Chemical Neuroscience
|
November 4, 2020
Intrinsic Origin of Tau Protein Aggregation: Effects of Histidine Tautomerism on Tau<sub>267-312</sub> Monomer
Sompriya Chatterjee, Abbas Salimi, Jin Yong Lee
Chemistry, an Asian Journal
|
July 7, 2021
Histidine Tautomerism Driving Human Islet Amyloid Polypeptide Aggregation in the Early Stages of Diabetes Mellitus Progression: Insight at the Atomistic Level
Abbas Salimi, Sompriya Chatterjee, Jin Yong Lee
ACS Chemical Neuroscience
|
August 12, 2021
Unraveling the Histidine Tautomerism Effect on the Initial Stages of Prion Misfolding: New Insights from a Computational Perspective
Sompriya Chatterjee, Abbas Salimi, Jin Yong Lee
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Search research articles
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Showing results (1-10 of 17) with videos related to
Sort By:
Page
of 2
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
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
The Journal of Physical Chemistry Letters
|
January 14, 2026
Characterizing RNA Tetramer Conformational Landscape Using Explainable Machine Learning
Sompriya Chatterjee, Dhiman Ray
Proceedings of the National Academy of Sciences of the United States of America
|
December 4, 2025
Data-driven enhanced sampling of mechanistic pathways
Revanth Elangovan, Sompriya Chatterjee, Dhiman Ray
Physical Chemistry Chemical Physics : PCCP
|
April 26, 2021
Molecular mechanism of amyloidogenicity and neurotoxicity of a pro-aggregated tau mutant in the presence of histidine tautomerism <i>via</i> replica-exchange simulation
Sompriya Chatterjee, Abbas Salimi, Jin Yong Lee
International Journal of Molecular Sciences
|
February 26, 2022
Mechanistic Insights into the Polymorphic Associations and Cross-Seeding of Aβ and hIAPP in the Presence of Histidine Tautomerism: An All-Atom Molecular Dynamic Study
Abbas Salimi, Sompriya Chatterjee, Jin Yong Lee
Archives of Biochemistry and Biophysics
|
May 12, 2023
Histidine tautomerism-mediated transthyretin amyloidogenesis: A molecular insight
Sompriya Chatterjee, Abbas Salimi, Jin Yong Lee
ACS Chemical Neuroscience
|
November 4, 2020
Intrinsic Origin of Tau Protein Aggregation: Effects of Histidine Tautomerism on Tau<sub>267-312</sub> Monomer
Sompriya Chatterjee, Abbas Salimi, Jin Yong Lee
Chemistry, an Asian Journal
|
July 7, 2021
Histidine Tautomerism Driving Human Islet Amyloid Polypeptide Aggregation in the Early Stages of Diabetes Mellitus Progression: Insight at the Atomistic Level
Abbas Salimi, Sompriya Chatterjee, Jin Yong Lee
ACS Chemical Neuroscience
|
August 12, 2021
Unraveling the Histidine Tautomerism Effect on the Initial Stages of Prion Misfolding: New Insights from a Computational Perspective
Sompriya Chatterjee, Abbas Salimi, Jin Yong Lee
Page
of 2