Extending the Generality of Molecular Dynamics Simulations on a Special-Purpose Machine. - Daniele Paolo Scarpazza; Douglas J. Ierardi; Adam K. Lerer; Kenneth M. Mackenzie; Albert C. Pan; Joseph A. Bank; Edmond Chow; Ron O. Dror; J. P. Grossman; Daniel Killebrew; Mark A. Moraes; Cristian Predescu; et al. (IPDPS, 2013)

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)