Performance of HADDOCK and a simple contact-based protein-ligand binding affinity predictor in the D3R Grand Challenge 2.
Zeynep KurkcuogluPanagiotis I. KoukosNevia CitroMikael E. TrelletJoão P. G. L. M. RodriguesIrina S. MoreiraJorge Roel-TourisAdrien S. J. MelquiondCunliang GengJörg SchaarschmidtLi C. XueAnna VangoneAlexandre M. J. J. BonvinPublished in: J. Comput. Aided Mol. Des. (2018)