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Subarna Sasmal

Showing results (1-10 of 8) with videos related to

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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 DataSubarna 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 PositionsSubarna Sasmal, Martin McCullagh, Glen M Hocky
Biorxiv : the Preprint Server for Biology|November 24, 2025
Tutorial on quantifying and sampling biomolecular ensembles with ShapeGMMSubarna Sasmal, Martin McCullagh, Glen M Hocky
The Journal of Chemical Physics|December 23, 2025
Tutorial on quantifying and sampling biomolecular ensembles with ShapeGMMSubarna 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 dataSubarna 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 ApproachNicodemo Mazzaferro, Subarna Sasmal, Pilar Cossio, et al.
Journal of Chemical Theory and Computation|April 25, 2024
Quantifying Unbiased Conformational Ensembles from Biased Simulations Using ShapeGMMSubarna Sasmal, Triasha Pal, Glen M Hocky, et al.
Digital Discovery|April 17, 2023
Assessment of chemistry knowledge in large language models that generate codeAndrew D White, Glen M Hocky, Heta A Gandhi, et al.
Pageof 1

Showing results (1-10 of 8) with videos related to

Sort By:
Pageof 1
The Journal of Physical Chemistry. B|June 13, 2025
Improved Data-Driven Collective Variables for Biased Sampling through Iteration on Biased DataSubarna 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 PositionsSubarna Sasmal, Martin McCullagh, Glen M Hocky
Biorxiv : the Preprint Server for Biology|November 24, 2025
Tutorial on quantifying and sampling biomolecular ensembles with ShapeGMMSubarna Sasmal, Martin McCullagh, Glen M Hocky
The Journal of Chemical Physics|December 23, 2025
Tutorial on quantifying and sampling biomolecular ensembles with ShapeGMMSubarna 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 dataSubarna 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 ApproachNicodemo Mazzaferro, Subarna Sasmal, Pilar Cossio, et al.
Journal of Chemical Theory and Computation|April 25, 2024
Quantifying Unbiased Conformational Ensembles from Biased Simulations Using ShapeGMMSubarna Sasmal, Triasha Pal, Glen M Hocky, et al.
Digital Discovery|April 17, 2023
Assessment of chemistry knowledge in large language models that generate codeAndrew D White, Glen M Hocky, Heta A Gandhi, et al.
Pageof 1