Coupling enhanced sampling of the apo-receptor with template-based ligand conformers selection: performance in pose prediction in the D3R Grand Challenge 4.
Andrea BasciuPanagiotis I. KoukosGiuliano MallociAlexandre M. J. J. BonvinAttilio Vittorio VargiuPublished in: J. Comput. Aided Mol. Des. (2020)