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The Journal of Physical Chemistry Letters
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March 21, 2025
Predicting Thermodynamic Stability at Protein G Sites with Deleterious Mutations Using λ-Dynamics with Competitive Screening
Christopher Yeh, Ryan L Hayes
Journal of Computational Chemistry
|
April 12, 2021
A strategy for proline and glycine mutations to proteins with alchemical free energy calculations
Ryan L Hayes, Charles L Brooks
Journal of Chemical Theory and Computation
|
October 28, 2021
BLaDE: A Basic Lambda Dynamics Engine for GPU-Accelerated Molecular Dynamics Free Energy Calculations
Ryan L Hayes, Joshua Buckner, Charles L Brooks
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
|
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
|
June 8, 2021
Generalizing the Discrete Gibbs Sampler-Based λ-Dynamics Approach for Multisite Sampling of Many Ligands
Jonah Z Vilseck, Xinqiang Ding, Ryan L Hayes, et al.
The Journal of Physical Chemistry Letters
|
August 7, 2019
Overcoming Challenging Substituent Perturbations with Multisite λ-Dynamics: A Case Study Targeting β-Secretase 1
Jonah Z Vilseck, Noor Sohail, Ryan L Hayes, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
January 9, 2024
Selection pressures on evolution of ribonuclease H explored with rigorous free-energy-based design
Ryan L Hayes, Charlotte F Nixon, Susan Marqusee, et al.
Journal of Chemical Theory and Computation
|
May 17, 2017
Gibbs Sampler-Based λ-Dynamics and Rao-Blackwell Estimator for Alchemical Free Energy Calculation
Xinqiang Ding, Jonah Z Vilseck, Ryan L Hayes, et al.
Journal of Chemical Theory and Computation
|
March 24, 2025
Multisite λ-Dynamics for Protein-DNA Binding Affinity Prediction
Carmen Al Masri, Jonah Z Vilseck, Jin Yu, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 30) with videos related to
Sort By:
Page
of 3
The Journal of Physical Chemistry Letters
|
March 21, 2025
Predicting Thermodynamic Stability at Protein G Sites with Deleterious Mutations Using λ-Dynamics with Competitive Screening
Christopher Yeh, Ryan L Hayes
Journal of Computational Chemistry
|
April 12, 2021
A strategy for proline and glycine mutations to proteins with alchemical free energy calculations
Ryan L Hayes, Charles L Brooks
Journal of Chemical Theory and Computation
|
October 28, 2021
BLaDE: A Basic Lambda Dynamics Engine for GPU-Accelerated Molecular Dynamics Free Energy Calculations
Ryan L Hayes, Joshua Buckner, Charles L Brooks
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
|
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
|
June 8, 2021
Generalizing the Discrete Gibbs Sampler-Based λ-Dynamics Approach for Multisite Sampling of Many Ligands
Jonah Z Vilseck, Xinqiang Ding, Ryan L Hayes, et al.
The Journal of Physical Chemistry Letters
|
August 7, 2019
Overcoming Challenging Substituent Perturbations with Multisite λ-Dynamics: A Case Study Targeting β-Secretase 1
Jonah Z Vilseck, Noor Sohail, Ryan L Hayes, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
January 9, 2024
Selection pressures on evolution of ribonuclease H explored with rigorous free-energy-based design
Ryan L Hayes, Charlotte F Nixon, Susan Marqusee, et al.
Journal of Chemical Theory and Computation
|
May 17, 2017
Gibbs Sampler-Based λ-Dynamics and Rao-Blackwell Estimator for Alchemical Free Energy Calculation
Xinqiang Ding, Jonah Z Vilseck, Ryan L Hayes, et al.
Journal of Chemical Theory and Computation
|
March 24, 2025
Multisite λ-Dynamics for Protein-DNA Binding Affinity Prediction
Carmen Al Masri, Jonah Z Vilseck, Jin Yu, et al.
Page
of 3