Ryan L Hayes

9PUBLICATIONS
68CO-AUTHORS
Chemical thermodynamics and energeticsBiomolecular modelling and designComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Computational chemistryComputational complexity and computability
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Publications (9)

|Sep 08, 2026
Piecewise Constraints for Exact End Point Sampling with λ-Dynamics.

|Jun 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

|Mar 24, 2025
Multisite λ-Dynamics for Protein-DNA Binding Affinity Prediction.

Carmen Al Masri, Jonah Z Vilseck, Jin Yu

|Mar 21, 2025
Predicting Thermodynamic Stability at Protein G Sites with Deleterious Mutations Using λ-Dynamics with Competitive Screening.

Christopher Yeh, Ryan L Hayes

|Sep 20, 2024
CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed.

Wonmuk Hwang, Steven L Austin, Arnaud Blondel

|Jul 08, 2024
How to Sample Dozens of Substitutions per Site with λ Dynamics.

Ryan L Hayes, Luis F Cervantes, Justin Cruz Abad Santos

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Frequent Collaborators

5 joint publications

Charles L Brooks Iii

3 joint publications

Jonah Z Vilseck

1 joint publications

Bin Chen

1 joint publications

Regan LeBlanc