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The Journal of Physical Chemistry. B
|
June 13, 2025
Improved Data-Driven Collective Variables for Biased Sampling through Iteration on Biased Data
Subarna Sasmal, Martin McCullagh, Glen M Hocky
Journal of Chemical Theory and Computation
|
May 2, 2023
Reaction Coordinates for Conformational Transitions Using Linear Discriminant Analysis on Positions
Subarna Sasmal, Martin McCullagh, Glen M Hocky
Biorxiv : the Preprint Server for Biology
|
November 24, 2025
Tutorial on quantifying and sampling biomolecular ensembles with ShapeGMM
Subarna Sasmal, Martin McCullagh, Glen M Hocky
The Journal of Chemical Physics
|
December 23, 2025
Tutorial on quantifying and sampling biomolecular ensembles with ShapeGMM
Subarna Sasmal, Martin McCullagh, Glen M Hocky
Biorxiv : the Preprint Server for Biology
|
April 8, 2025
Improved data-driven collective variables for biased sampling through iteration on biased data
Subarna Sasmal, Martin McCullagh, Glen M Hocky
Journal of Chemical Theory and Computation
|
July 2, 2024
Good Rates From Bad Coordinates: The Exponential Average Time-dependent Rate Approach
Nicodemo Mazzaferro, Subarna Sasmal, Pilar Cossio, et al.
Journal of Chemical Theory and Computation
|
April 25, 2024
Quantifying Unbiased Conformational Ensembles from Biased Simulations Using ShapeGMM
Subarna Sasmal, Triasha Pal, Glen M Hocky, et al.
Digital Discovery
|
April 17, 2023
Assessment of chemistry knowledge in large language models that generate code
Andrew D White, Glen M Hocky, Heta A Gandhi, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 8) with videos related to
Sort By:
Page
of 1
The Journal of Physical Chemistry. B
|
June 13, 2025
Improved Data-Driven Collective Variables for Biased Sampling through Iteration on Biased Data
Subarna Sasmal, Martin McCullagh, Glen M Hocky
Journal of Chemical Theory and Computation
|
May 2, 2023
Reaction Coordinates for Conformational Transitions Using Linear Discriminant Analysis on Positions
Subarna Sasmal, Martin McCullagh, Glen M Hocky
Biorxiv : the Preprint Server for Biology
|
November 24, 2025
Tutorial on quantifying and sampling biomolecular ensembles with ShapeGMM
Subarna Sasmal, Martin McCullagh, Glen M Hocky
The Journal of Chemical Physics
|
December 23, 2025
Tutorial on quantifying and sampling biomolecular ensembles with ShapeGMM
Subarna Sasmal, Martin McCullagh, Glen M Hocky
Biorxiv : the Preprint Server for Biology
|
April 8, 2025
Improved data-driven collective variables for biased sampling through iteration on biased data
Subarna Sasmal, Martin McCullagh, Glen M Hocky
Journal of Chemical Theory and Computation
|
July 2, 2024
Good Rates From Bad Coordinates: The Exponential Average Time-dependent Rate Approach
Nicodemo Mazzaferro, Subarna Sasmal, Pilar Cossio, et al.
Journal of Chemical Theory and Computation
|
April 25, 2024
Quantifying Unbiased Conformational Ensembles from Biased Simulations Using ShapeGMM
Subarna Sasmal, Triasha Pal, Glen M Hocky, et al.
Digital Discovery
|
April 17, 2023
Assessment of chemistry knowledge in large language models that generate code
Andrew D White, Glen M Hocky, Heta A Gandhi, et al.
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of 1