The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations.
Andrea RizziTravis JensenDavid R. SlochowerMatteo AldeghiVytautas GapsysDimitris NtekoumesStefano BosisioMichail PapadourakisNiel M. HenriksenBert L. de GrootZoe CourniaAlex DicksonJulien MichelMichael K. GilsonMichael R. ShirtsDavid L. MobleyJohn D. ChoderaPublished in: J. Comput. Aided Mol. Des. (2020)