AMBER Drug Discovery Boost Tools: Automated Workflow for Production Free-Energy Simulation Setup and Analysis (ProFESSA). - Abir Ganguly; Hsu-Chun Tsai; Mario Fernández-Pendás; Tai-Sung Lee; Timothy J. Giese; Darrin M. York (J. Chem. Inf. Model., 2022)

Improvements in Precision of Relative Binding Free Energy Calculations Afforded by the Alchemical Enhanced Sampling (ACES) Approach. - Hsu-Chun Tsai; James Xu; Zhenyu Guo; Yinhui Yi; Chuan Tian; Xinyu Que; Timothy J. Giese; Tai-Sung Lee; Darrin M. York; Abir Ganguly; Albert C. Pan (J. Chem. Inf. Model., 2024)