WIDOCK: a reactive docking protocol for virtual screening of covalent inhibitors

Source : https://link.springer.com/article/10.1007/s10822-020-00371-5

Here we present WIDOCK, a virtual screening protocol that supports the selection of diverse electrophiles as covalent inhibitors by incorporating ligand reactivity towards cysteine residues into AutoDock4. WIDOCK applies the reactive docking method (Backus et al.