Trott O, Olson AJ (2010) Software news and update autodock vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. J Comput Chem 31(2):455–461. doi:10.1002/jcc.21334 CAS Google Scholar Amaro RE, Baron R, McCammon JA (...
Some of the complexes (PDB ID: 1lpg, 1oyt, 1z9g, 1ryj, 3twp, 3utu, 5c2h) turned out to be impossible to prepare using the prepare_ligand4.py program with default settings. Most of the scoring functions (i.e., AutoDock 4.2, AutoDock Vina, AutoDock VinaXB, ∆Vina RF20, and...