Overview of the SAMPL6 host-guest binding affinity prediction challenge.
Andrea RizziSteven MurkliJohn N. McNeillWei YaoMatthew R. SullivanMichael K. GilsonMichael ChiuLyle IsaacsBruce C. GibbDavid L. MobleyJohn D. ChoderaPublished in: J. Comput. Aided Mol. Des. (2018)