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The Journal of Chemical Physics
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July 22, 2024
Optimization of the resampling method in the weighted ensemble simulation toolkit with parallelization and analysis (WESTPA)
Dennis Plotnikov, Surl-Hee Ahn
The Journal of Physical Chemistry. B
|
October 12, 2019
Foldamer Architectures of Triazine-Based Sequence-Defined Polymers Investigated with Molecular Dynamics Simulations and Enhanced Sampling Methods
Surl-Hee Ahn, Jay W Grate
The Journal of Chemical Physics
|
May 10, 2019
Erratum: "Investigating the role of non-covalent interactions in conformation and assembly of triazine-based sequence-defined polymers" [J. Chem. Phys. 149, 072330 (2018)]
Surl-Hee Ahn, Jay W Grate, Eric F Darve
The Journal of Chemical Physics
|
August 24, 2018
Investigating the role of non-covalent interactions in conformation and assembly of triazine-based sequence-defined polymers
Surl-Hee Ahn, Jay W Grate, Eric F Darve
Journal of Chemical Information and Modeling
|
April 22, 2020
Ranking of Ligand Binding Kinetics Using a Weighted Ensemble Approach and Comparison with a Multiscale Milestoning Approach
Surl-Hee Ahn, Benjamin R Jagger, Rommie E Amaro
The Journal of Chemical Physics
|
May 10, 2019
The multi-dimensional generalized Langevin equation for conformational motion of proteins
Hee Sun Lee, Surl-Hee Ahn, Eric F Darve
Frontiers in Molecular Biosciences
|
June 27, 2022
Investigating Intrinsically Disordered Proteins With Brownian Dynamics
Surl-Hee Ahn, Gary A Huber, J Andrew McCammon
The Journal of Chemical Physics
|
August 24, 2017
Efficiently sampling conformations and pathways using the concurrent adaptive sampling (CAS) algorithm
Surl-Hee Ahn, Jay W Grate, Eric F Darve
Journal of Chemical Theory and Computation
|
January 31, 2023
DeepWEST: Deep Learning of Kinetic Models with the Weighted Ensemble Simulation Toolkit for Enhanced Sampling
Anupam Anand Ojha, Saumya Thakur, Surl-Hee Ahn, et al.
Journal of Chemical Theory and Computation
|
November 30, 2021
Gaussian-Accelerated Molecular Dynamics with the Weighted Ensemble Method: A Hybrid Method Improves Thermodynamic and Kinetic Sampling
Surl-Hee Ahn, Anupam A Ojha, Rommie E Amaro, et al.
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Search research articles
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Showing results (1-10 of 31) with videos related to
Sort By:
Page
of 4
The Journal of Chemical Physics
|
July 22, 2024
Optimization of the resampling method in the weighted ensemble simulation toolkit with parallelization and analysis (WESTPA)
Dennis Plotnikov, Surl-Hee Ahn
The Journal of Physical Chemistry. B
|
October 12, 2019
Foldamer Architectures of Triazine-Based Sequence-Defined Polymers Investigated with Molecular Dynamics Simulations and Enhanced Sampling Methods
Surl-Hee Ahn, Jay W Grate
The Journal of Chemical Physics
|
May 10, 2019
Erratum: "Investigating the role of non-covalent interactions in conformation and assembly of triazine-based sequence-defined polymers" [J. Chem. Phys. 149, 072330 (2018)]
Surl-Hee Ahn, Jay W Grate, Eric F Darve
The Journal of Chemical Physics
|
August 24, 2018
Investigating the role of non-covalent interactions in conformation and assembly of triazine-based sequence-defined polymers
Surl-Hee Ahn, Jay W Grate, Eric F Darve
Journal of Chemical Information and Modeling
|
April 22, 2020
Ranking of Ligand Binding Kinetics Using a Weighted Ensemble Approach and Comparison with a Multiscale Milestoning Approach
Surl-Hee Ahn, Benjamin R Jagger, Rommie E Amaro
The Journal of Chemical Physics
|
May 10, 2019
The multi-dimensional generalized Langevin equation for conformational motion of proteins
Hee Sun Lee, Surl-Hee Ahn, Eric F Darve
Frontiers in Molecular Biosciences
|
June 27, 2022
Investigating Intrinsically Disordered Proteins With Brownian Dynamics
Surl-Hee Ahn, Gary A Huber, J Andrew McCammon
The Journal of Chemical Physics
|
August 24, 2017
Efficiently sampling conformations and pathways using the concurrent adaptive sampling (CAS) algorithm
Surl-Hee Ahn, Jay W Grate, Eric F Darve
Journal of Chemical Theory and Computation
|
January 31, 2023
DeepWEST: Deep Learning of Kinetic Models with the Weighted Ensemble Simulation Toolkit for Enhanced Sampling
Anupam Anand Ojha, Saumya Thakur, Surl-Hee Ahn, et al.
Journal of Chemical Theory and Computation
|
November 30, 2021
Gaussian-Accelerated Molecular Dynamics with the Weighted Ensemble Method: A Hybrid Method Improves Thermodynamic and Kinetic Sampling
Surl-Hee Ahn, Anupam A Ojha, Rommie E Amaro, et al.
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of 4