https://pubs.acs.org/doi/full/10.1021/acs.jcim.1c00203 AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings AutoDock Vina is arguably one of the fastest and most widely used open-source programs for molecular docking. However, compared to other programs in the AutoDock Suite, it lacks support for modeling specific features such as macrocycles or explicit water m pu..