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Journal of Chemical Theory and Computation
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September 12, 2017
Hamiltonian Monte Carlo with Constrained Molecular Dynamics as Gibbs Sampling
Laurentiu Spiridon, David D L Minh
Journal of Computer-Aided Molecular Design
|
August 8, 2018
Alchemical Grid Dock (AlGDock) calculations in the D3R Grand Challenge 3 : Binding free energies between flexible ligands and rigid receptors
Bing Xie, David D L Minh
The Journal of Chemical Physics
|
March 17, 2018
Implicit ligand theory for relative binding free energies
Trung Hai Nguyen, David D L Minh
Journal of Chemical Theory and Computation
|
June 1, 2018
Correction to Intermediate Thermodynamic States Contribute Equally to Free Energy Convergence: A Demonstration with Replica Exchange
Trung Hai Nguyen, David D L Minh
The Journal of Chemical Physics
|
January 19, 2011
Estimating equilibrium ensemble averages using multiple time slices from driven nonequilibrium processes: theory and application to free energies, moments, and thermodynamic length in single-molecule pulling experiments
David D L Minh, John D Chodera
The Journal of Physical Chemistry. B
|
December 20, 2007
Springs and speeds in free energy reconstruction from irreversible single-molecule pulling experiments
David D L Minh, J Andrew McCammon
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|
April 28, 2009
Path integral analysis of Jarzynski's equality: analytical results
David D L Minh, Artur B Adib
The Journal of Chemical Physics
|
October 10, 2009
Optimal estimators and asymptotic variances for nonequilibrium path-ensemble averages
David D L Minh, John D Chodera
Journal of Physics Communications
|
April 5, 2021
Implicit ligand theory for relative binding free energies: II. An estimator based on control variates
Trung Hai Nguyen, David D L Minh
Journal of Chemical Theory and Computation
|
April 8, 2016
Intermediate Thermodynamic States Contribute Equally to Free Energy Convergence: A Demonstration with Replica Exchange
Trung Hai Nguyen, David D L Minh
Page
of 7
Search research articles
Search
Showing results (11-20 of 64) with videos related to
Sort By:
Page
of 7
Journal of Chemical Theory and Computation
|
September 12, 2017
Hamiltonian Monte Carlo with Constrained Molecular Dynamics as Gibbs Sampling
Laurentiu Spiridon, David D L Minh
Journal of Computer-Aided Molecular Design
|
August 8, 2018
Alchemical Grid Dock (AlGDock) calculations in the D3R Grand Challenge 3 : Binding free energies between flexible ligands and rigid receptors
Bing Xie, David D L Minh
The Journal of Chemical Physics
|
March 17, 2018
Implicit ligand theory for relative binding free energies
Trung Hai Nguyen, David D L Minh
Journal of Chemical Theory and Computation
|
June 1, 2018
Correction to Intermediate Thermodynamic States Contribute Equally to Free Energy Convergence: A Demonstration with Replica Exchange
Trung Hai Nguyen, David D L Minh
The Journal of Chemical Physics
|
January 19, 2011
Estimating equilibrium ensemble averages using multiple time slices from driven nonequilibrium processes: theory and application to free energies, moments, and thermodynamic length in single-molecule pulling experiments
David D L Minh, John D Chodera
The Journal of Physical Chemistry. B
|
December 20, 2007
Springs and speeds in free energy reconstruction from irreversible single-molecule pulling experiments
David D L Minh, J Andrew McCammon
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|
April 28, 2009
Path integral analysis of Jarzynski's equality: analytical results
David D L Minh, Artur B Adib
The Journal of Chemical Physics
|
October 10, 2009
Optimal estimators and asymptotic variances for nonequilibrium path-ensemble averages
David D L Minh, John D Chodera
Journal of Physics Communications
|
April 5, 2021
Implicit ligand theory for relative binding free energies: II. An estimator based on control variates
Trung Hai Nguyen, David D L Minh
Journal of Chemical Theory and Computation
|
April 8, 2016
Intermediate Thermodynamic States Contribute Equally to Free Energy Convergence: A Demonstration with Replica Exchange
Trung Hai Nguyen, David D L Minh
Page
of 7