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The Journal of Physical Chemistry. B
|
July 7, 2020
Exploring pH Dependent Host/Guest Binding Affinities
Thomas J Paul, Jonah Z Vilseck, Ryan L Hayes, et al.
The Journal of Physical Chemistry. B
|
January 24, 2017
Adaptive Landscape Flattening Accelerates Sampling of Alchemical Space in Multisite λ Dynamics
Ryan L Hayes, Kira A Armacost, Jonah Z Vilseck, et al.
Journal of Chemical Theory and Computation
|
November 17, 2020
Automated, Accurate, and Scalable Relative Protein-Ligand Binding Free-Energy Calculations Using Lambda Dynamics
E Prabhu Raman, Thomas J Paul, Ryan L Hayes, et al.
Journal of Chemical Information and Modeling
|
March 14, 2022
Optimizing Multisite λ-Dynamics Throughput with Charge Renormalization
Jonah Z Vilseck, Luis F Cervantes, Ryan L Hayes, et al.
The Journal of Physical Chemistry. B
|
January 25, 2019
Structure-Based Model of RNA Pseudoknot Captures Magnesium-Dependent Folding Thermodynamics
Ana Mandic, Ryan L Hayes, Heiko Lammert, et al.
Nature Communications
|
December 21, 2023
Fast free energy estimates from λ-dynamics with bias-updated Gibbs sampling
Michael T Robo, Ryan L Hayes, Xinqiang Ding, et al.
The Journal of Physical Chemistry Letters
|
June 12, 2025
Multiple Molecule λ-Dynamics: Probing Drug Resistance with Concurrent Protein and Ligand Perturbations
Michael P Liesen, Ryan L Hayes, Charles L Brooks Iii, et al.
Journal of Computer-Aided Molecular Design
|
September 9, 2017
CDOCKER and λ-dynamics for prospective prediction in D₃R Grand Challenge 2
Xinqiang Ding, Ryan L Hayes, Jonah Z Vilseck, et al.
The Journal of Physical Chemistry Letters
|
May 31, 2018
Predicting Binding Free Energies in a Large Combinatorial Chemical Space Using Multisite λ Dynamics
Jonah Z Vilseck, Kira A Armacost, Ryan L Hayes, et al.
Biophysical Journal
|
August 8, 2014
Intercellular stress reconstitution from traction force data
Juliane Zimmermann, Ryan L Hayes, Markus Basan, et al.
Page
of 3
Search research articles
Search
Showing results (11-20 of 30) with videos related to
Sort By:
Page
of 3
The Journal of Physical Chemistry. B
|
July 7, 2020
Exploring pH Dependent Host/Guest Binding Affinities
Thomas J Paul, Jonah Z Vilseck, Ryan L Hayes, et al.
The Journal of Physical Chemistry. B
|
January 24, 2017
Adaptive Landscape Flattening Accelerates Sampling of Alchemical Space in Multisite λ Dynamics
Ryan L Hayes, Kira A Armacost, Jonah Z Vilseck, et al.
Journal of Chemical Theory and Computation
|
November 17, 2020
Automated, Accurate, and Scalable Relative Protein-Ligand Binding Free-Energy Calculations Using Lambda Dynamics
E Prabhu Raman, Thomas J Paul, Ryan L Hayes, et al.
Journal of Chemical Information and Modeling
|
March 14, 2022
Optimizing Multisite λ-Dynamics Throughput with Charge Renormalization
Jonah Z Vilseck, Luis F Cervantes, Ryan L Hayes, et al.
The Journal of Physical Chemistry. B
|
January 25, 2019
Structure-Based Model of RNA Pseudoknot Captures Magnesium-Dependent Folding Thermodynamics
Ana Mandic, Ryan L Hayes, Heiko Lammert, et al.
Nature Communications
|
December 21, 2023
Fast free energy estimates from λ-dynamics with bias-updated Gibbs sampling
Michael T Robo, Ryan L Hayes, Xinqiang Ding, et al.
The Journal of Physical Chemistry Letters
|
June 12, 2025
Multiple Molecule λ-Dynamics: Probing Drug Resistance with Concurrent Protein and Ligand Perturbations
Michael P Liesen, Ryan L Hayes, Charles L Brooks Iii, et al.
Journal of Computer-Aided Molecular Design
|
September 9, 2017
CDOCKER and λ-dynamics for prospective prediction in D₃R Grand Challenge 2
Xinqiang Ding, Ryan L Hayes, Jonah Z Vilseck, et al.
The Journal of Physical Chemistry Letters
|
May 31, 2018
Predicting Binding Free Energies in a Large Combinatorial Chemical Space Using Multisite λ Dynamics
Jonah Z Vilseck, Kira A Armacost, Ryan L Hayes, et al.
Biophysical Journal
|
August 8, 2014
Intercellular stress reconstitution from traction force data
Juliane Zimmermann, Ryan L Hayes, Markus Basan, et al.
Page
of 3