Virtual screening of integrase inhibitors by large scale binding free energy calculations: the SAMPL4 challenge. - Emilio Gallicchio; Nan-Jie Deng; Peng He; Lauren Wickstrom; Alexander L. Perryman; Daniel N. Santiago; Stefano Forli; Arthur J. Olson; Ronald M. Levy (J. Comput. Aided Mol. Des., 2014)

A combined treatment of hydration and dynamical effects for the modeling of host-guest binding thermodynamics: the SAMPL5 blinded challenge. - Rajat Kumar Pal; Kamran Haider; Divya Kaur; William F. Flynn; Junchao Xia; Ronald M. Levy; Tetiana Taran; Lauren Wickstrom; Tom Kurtzman; Emilio Gallicchio (J. Comput. Aided Mol. Des., 2017)

Erratum to: A combined treatment of hydration and dynamical effects for the modeling of host-guest binding thermodynamics: the SAMPL5 blinded challenge. - Rajat Kumar Pal; Kamran Haider; Divya Kaur; William F. Flynn; Junchao Xia; Ronald M. Levy; Tetiana Taran; Lauren Wickstrom; Tom Kurtzman; Emilio Gallicchio (J. Comput. Aided Mol. Des., 2017)