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Nicole M Roussey
Alex Dickson

Showing results (1-10 of 62) with videos related to

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Journal of Computational Chemistry|December 13, 2022
Quality over quantity: Sampling high probability rare events with the weighted ensemble algorithmNicole M Roussey, Alex Dickson
The Journal of Chemical Physics|October 9, 2020
Enhanced Jarzynski free energy calculations using weighted ensembleNicole M Roussey, Alex Dickson
Frontiers in Molecular Biosciences|May 13, 2022
Local Ion Densities can Influence Transition Paths of Molecular BindingNicole M Roussey, Alex Dickson
The Journal of Chemical Physics|July 1, 2019
REVO: Resampling of ensembles by variation optimizationNazanin Donyapour, Nicole M Roussey, Alex Dickson
Journal of Chemical Theory and Computation|July 24, 2023
Flexible Topology: A Dynamic Model of a Continuous Chemical SpaceNazanin Donyapour, Fatemeh Fathi Niazi, Nicole M Roussey, et al.
Biophysical Journal|October 18, 2018
Mapping the Ligand Binding LandscapeAlex Dickson
Journal of Chemical Theory and Computation|August 12, 2021
Perturbation of ACE2 Structural Ensembles by SARS-CoV-2 Spike Protein BindingArzu Uyar, Alex Dickson
Journal of Computer-Aided Molecular Design|June 28, 2021
Predicting partition coefficients for the SAMPL7 physical property challenge using the ClassicalGSG methodNazanin Donyapour, Alex Dickson
The Journal of Physical Chemistry. B|February 5, 2014
WExplore: hierarchical exploration of high-dimensional spaces using the weighted ensemble algorithmAlex Dickson, Charles L Brooks
Biophysical Journal|March 4, 2017
Multiple Ligand Unbinding Pathways and Ligand-Induced Destabilization Revealed by WExploreAlex Dickson, Samuel D Lotz
Pageof 7

Showing results (1-10 of 62) with videos related to

Sort By:
Pageof 7
Journal of Computational Chemistry|December 13, 2022
Quality over quantity: Sampling high probability rare events with the weighted ensemble algorithmNicole M Roussey, Alex Dickson
The Journal of Chemical Physics|October 9, 2020
Enhanced Jarzynski free energy calculations using weighted ensembleNicole M Roussey, Alex Dickson
Frontiers in Molecular Biosciences|May 13, 2022
Local Ion Densities can Influence Transition Paths of Molecular BindingNicole M Roussey, Alex Dickson
The Journal of Chemical Physics|July 1, 2019
REVO: Resampling of ensembles by variation optimizationNazanin Donyapour, Nicole M Roussey, Alex Dickson
Journal of Chemical Theory and Computation|July 24, 2023
Flexible Topology: A Dynamic Model of a Continuous Chemical SpaceNazanin Donyapour, Fatemeh Fathi Niazi, Nicole M Roussey, et al.
Biophysical Journal|October 18, 2018
Mapping the Ligand Binding LandscapeAlex Dickson
Journal of Chemical Theory and Computation|August 12, 2021
Perturbation of ACE2 Structural Ensembles by SARS-CoV-2 Spike Protein BindingArzu Uyar, Alex Dickson
Journal of Computer-Aided Molecular Design|June 28, 2021
Predicting partition coefficients for the SAMPL7 physical property challenge using the ClassicalGSG methodNazanin Donyapour, Alex Dickson
The Journal of Physical Chemistry. B|February 5, 2014
WExplore: hierarchical exploration of high-dimensional spaces using the weighted ensemble algorithmAlex Dickson, Charles L Brooks
Biophysical Journal|March 4, 2017
Multiple Ligand Unbinding Pathways and Ligand-Induced Destabilization Revealed by WExploreAlex Dickson, Samuel D Lotz
Pageof 7