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Journal of Chemical Theory and Computation
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December 8, 2020
Reversibly Sampling Conformations and Binding Modes Using Molecular Darting
Samuel C Gill, David L Mobley
Journal of Chemical Theory and Computation
|
February 15, 2020
Sampling Conformational Changes of Bound Ligands Using Nonequilibrium Candidate Monte Carlo and Molecular Dynamics
Sukanya Sasmal, Samuel C Gill, Nathan M Lim, et al.
Journal of Chemical Theory and Computation
|
January 25, 2019
Enhancing Side Chain Rotamer Sampling Using Nonequilibrium Candidate Monte Carlo
Kalistyn H Burley, Samuel C Gill, Nathan M Lim, et al.
Chemical Research in Toxicology
|
May 28, 2019
Binding Modes and Metabolism of Caffeine
Zuzana Jandova, Samuel C Gill, Nathan M Lim, et al.
The Journal of Physical Chemistry. B
|
March 1, 2018
Binding Modes of Ligands Using Enhanced Sampling (BLUES): Rapid Decorrelation of Ligand Binding Modes via Nonequilibrium Candidate Monte Carlo
Samuel C Gill, Nathan M Lim, Patrick B Grinaway, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
December 8, 2020
Reversibly Sampling Conformations and Binding Modes Using Molecular Darting
Samuel C Gill, David L Mobley
Journal of Chemical Theory and Computation
|
February 15, 2020
Sampling Conformational Changes of Bound Ligands Using Nonequilibrium Candidate Monte Carlo and Molecular Dynamics
Sukanya Sasmal, Samuel C Gill, Nathan M Lim, et al.
Journal of Chemical Theory and Computation
|
January 25, 2019
Enhancing Side Chain Rotamer Sampling Using Nonequilibrium Candidate Monte Carlo
Kalistyn H Burley, Samuel C Gill, Nathan M Lim, et al.
Chemical Research in Toxicology
|
May 28, 2019
Binding Modes and Metabolism of Caffeine
Zuzana Jandova, Samuel C Gill, Nathan M Lim, et al.
The Journal of Physical Chemistry. B
|
March 1, 2018
Binding Modes of Ligands Using Enhanced Sampling (BLUES): Rapid Decorrelation of Ligand Binding Modes via Nonequilibrium Candidate Monte Carlo
Samuel C Gill, Nathan M Lim, Patrick B Grinaway, et al.
Page
of 1