BEDAM binding free energy predictions for the SAMPL4 octa-acid host challenge.
Emilio GallicchioHaoyuan ChenHe ChenMichael FitzgeraldYang GaoPeng HeMalathi KalyanikarChuan KaoBeidi LuYijie NiuManasi A. PetheJie ZhuRonald M. LevyPublished in: J. Comput. Aided Mol. Des. (2015)