… three docking programs AutoDock Vina, DOCK and MDock gave different effectivenesses on
the 40 targets for flexible-ligand docking, they … For example, all three docking programs had …

… methods provided by the AutoDock suite of programs, including a basic docking of a drug …
ligand library, docking with selective receptor flexibility, active site prediction and docking with …

… of three popular docking programs, Autodock, Autodock Vina, and Surflex-Dock for a series
of … Semi-flexible docking allows the ligands to sample various conformations during a semi-…

… in the latter, instead of a single ligand, the user needs to select a folder … automatic conversion
of the input receptor and ligand from the .pdb to the .pdbqt file format, required by AutoDock …

… SOFTWARES AutoDock is automated software used for … AutoDock uses the Lamarckian
Genetic algorithm and empirical … docking results for ligands with approximately 10 flexible bonds…

… of docking results. In the present work, we have evaluated widely used docking programs
Glide [7-9, 41], AutoDock … In case of AutoDock and Glide, 96% of the docked ligands had their …

… In standard protein–ligand docking, AutoDock-GPU uses an internal semiempirical force
field to estimate the binding energy between the ligand and protein. This accounts for six …

… AutoDock is an automated suite of protein-ligand docking tools. AutoDock tools are abbreviated
… The application of this tool is immense, ranging from structurebased drug design, lead …

… and dimensions: a) “Automatic” - the program uses AutoLigand to predict possible binding
… We find the off-target docking procedure particularly helpful for conducting ligand selectivity …

… these programs, AutoDock Vina, GOLD, and MOE-Dock … server was best in automated protein
docking equivalent to the best … are currently in use for docking flexible ligands, namely: (a) …