Virtual screening of integrase inhibitors by large scale binding free energy calculations: the SAMPL4 challenge.
Emilio GallicchioNan-Jie DengPeng HeLauren WickstromAlexander L. PerrymanDaniel N. SantiagoStefano ForliArthur J. OlsonRonald M. LevyPublished in: J. Comput. Aided Mol. Des. (2014)