A framework for flexible and scalable replica-exchange on production distributed CI. - Brian K. Radak; Tai-Sung Lee; Peng He; Melissa Romanus; Ole Weidner; Wei Dai; Emilio Gallicchio; Nan-Jie Deng; Darrin M. York; Ronald M. Levy; Shantenu Jha (XSEDE, 2013)

Boosting Free-Energy Perturbation Calculations with GPU-Accelerated NAMD. - Haochuan Chen; Julio D. C. Maia; Brian K. Radak; David J. Hardy; Wensheng Cai; Christophe Chipot; Emad Tajkhorshid (J. Chem. Inf. Model., 2020)

Rigorous Free Energy Simulations in Virtual Screening. - Zoe Cournia; Bryce K. Allen; Thijs Beuming; David A. Pearlman; Brian K. Radak; Woody Sherman (J. Chem. Inf. Model., 2020)

Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery. - Tai-Sung Lee; Bryce K. Allen; Timothy J. Giese; Zhenyu Guo; Pengfei Li 003; Charles Lin; T. Dwight McGee Jr.; David A. Pearlman; Brian K. Radak; Yujun Tao; Hsu-Chun Tsai; Huafeng Xu; et al. (J. Chem. Inf. Model., 2020)