Darrin M York

59PUBLICATIONS
133CO-AUTHORS
Reaction engineering (excl. nuclear reactions)Data visualisation and computational (incl. parametric and generative) designBiomolecular modelling and designStatistical mechanics in chemistryFormal methods for software
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Publications (59)

|Mar 09, 2026
Automated Force Field Developer and Optimizer Platform: Torsion Reparameterization.

Alejandro Blanco-Gonzalez, William Betancourt, Ryan Michael Snyder

|Jan 17, 2026
A Relative Binding Free Energy Framework for Structurally Dissimilar Molecules.

Hsu-Chun Tsai, Shi Zhang, Tai-Sung Lee

|Dec 09, 2025
SAMTI: Sampling Adaptive Thermodynamic Integration for Alchemical Free Energy Calculations.

Tai-Sung Lee, Omid Jahanmahin, Saikat Pal

|Jul 29, 2025
Recent Developments in Amber Biomolecular Simulations.

David A Case, David S Cerutti, Vinícius Wilian D Cruzeiro

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