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The Journal of Physical Chemistry. B
|
November 8, 2024
Superimposing Ligands with a Ligand Overlay as an Alternate Topology Model for λ-Dynamics-Based Calculations
Michael P Liesen, Jonah Z Vilseck
Journal of Chemical Information and Modeling
|
July 4, 2024
A λ-Dynamics Investigation of Insulin <i>Wakayama</i> and Other A3 Variant Binding Affinities to the Insulin Receptor
Monica P Barron, Jonah Z Vilseck
Biorxiv : the Preprint Server for Biology
|
April 1, 2024
A λ-dynamics investigation of insulin <i>Wakayama</i> and other A3 variant binding affinities to the insulin receptor
Monica P Barron, Jonah Z Vilseck
Journal of Chemical Theory and Computation
|
January 29, 2019
Fast Solver for Large Scale Multistate Bennett Acceptance Ratio Equations
Xinqiang Ding, Jonah Z Vilseck, Charles L Brooks
Journal of Computational Chemistry
|
July 7, 2011
Optimal scaling factors for CM1 and CM3 atomic charges in RM1-based aqueous simulations
Jonah Z Vilseck, Somisetti V Sambasivarao, Orlando Acevedo
Physical Chemistry Chemical Physics : PCCP
|
January 16, 2015
Determination of partial molar volumes from free energy perturbation theory
Jonah Z Vilseck, Julian Tirado-Rives, William L Jorgensen
Protein Science : a Publication of the Protein Society
|
September 4, 2018
Approaching protein design with multisite λ dynamics: Accurate and scalable mutational folding free energies in T4 lysozyme
Ryan L Hayes, Jonah Z Vilseck, Charles L Brooks
Journal of Chemical Theory and Computation
|
July 26, 2014
Evaluation of CM5 Charges for Condensed-Phase Modeling
Jonah Z Vilseck, Julian Tirado-Rives, William L Jorgensen
Journal of Chemical Theory and Computation
|
March 7, 2022
Addressing Intersite Coupling Unlocks Large Combinatorial Chemical Spaces for Alchemical Free Energy Methods
Ryan L Hayes, Jonah Z Vilseck, Charles L Brooks
Journal of Chemical Theory and Computation
|
March 30, 2026
Accelerated Combinatorial Drug Design for Human Immunodeficiency Virus Resistance through Seeded Multisite λ-Dynamics
Paige E Bowling, Jonah Z Vilseck, Charles L Brooks
Page
of 5
Search research articles
Search
Showing results (1-10 of 46) with videos related to
Sort By:
Page
of 5
The Journal of Physical Chemistry. B
|
November 8, 2024
Superimposing Ligands with a Ligand Overlay as an Alternate Topology Model for λ-Dynamics-Based Calculations
Michael P Liesen, Jonah Z Vilseck
Journal of Chemical Information and Modeling
|
July 4, 2024
A λ-Dynamics Investigation of Insulin <i>Wakayama</i> and Other A3 Variant Binding Affinities to the Insulin Receptor
Monica P Barron, Jonah Z Vilseck
Biorxiv : the Preprint Server for Biology
|
April 1, 2024
A λ-dynamics investigation of insulin <i>Wakayama</i> and other A3 variant binding affinities to the insulin receptor
Monica P Barron, Jonah Z Vilseck
Journal of Chemical Theory and Computation
|
January 29, 2019
Fast Solver for Large Scale Multistate Bennett Acceptance Ratio Equations
Xinqiang Ding, Jonah Z Vilseck, Charles L Brooks
Journal of Computational Chemistry
|
July 7, 2011
Optimal scaling factors for CM1 and CM3 atomic charges in RM1-based aqueous simulations
Jonah Z Vilseck, Somisetti V Sambasivarao, Orlando Acevedo
Physical Chemistry Chemical Physics : PCCP
|
January 16, 2015
Determination of partial molar volumes from free energy perturbation theory
Jonah Z Vilseck, Julian Tirado-Rives, William L Jorgensen
Protein Science : a Publication of the Protein Society
|
September 4, 2018
Approaching protein design with multisite λ dynamics: Accurate and scalable mutational folding free energies in T4 lysozyme
Ryan L Hayes, Jonah Z Vilseck, Charles L Brooks
Journal of Chemical Theory and Computation
|
July 26, 2014
Evaluation of CM5 Charges for Condensed-Phase Modeling
Jonah Z Vilseck, Julian Tirado-Rives, William L Jorgensen
Journal of Chemical Theory and Computation
|
March 7, 2022
Addressing Intersite Coupling Unlocks Large Combinatorial Chemical Spaces for Alchemical Free Energy Methods
Ryan L Hayes, Jonah Z Vilseck, Charles L Brooks
Journal of Chemical Theory and Computation
|
March 30, 2026
Accelerated Combinatorial Drug Design for Human Immunodeficiency Virus Resistance through Seeded Multisite λ-Dynamics
Paige E Bowling, Jonah Z Vilseck, Charles L Brooks
Page
of 5