TABLE 1

List of commonly used docking programs

Docking SoftwareWebsite
AutoDock (Morris et al., 2009)http://autodock.scripps.edu
AutoDock Vina (Trott and Olson, 2010)http://vina.scripps.edu
DOCK (Coleman et al., 2013)http://dock.compbio.ucsf.edu
FlexX (Rarey et al., 1996)https://www.biosolveit.de/FlexX
FRED (McGann, 2011)https://www.eyesopen.com/oedocking
Glide (Friesner et al., 2004)https://www.schrodinger.com/glide
GOLD (Jones et al., 1997)https://www.ccdc.cam.ac.uk/solutions/csd-discovery/components/gold
ICM (Abagyan et al., 1994)http://www.molsoft.com/docking.html
MOE [Molecular Operating Environment (MOE), 2020]https://www.chemcomp.com
PLANTS (Korb et al., 2009)https://uni-tuebingen.de/fakultaeten/mathematisch-naturwissenschaftliche-fakultaet/fachbereiche/pharmazie-und-biochemie/pharmazie/pharmazeutische-chemie/pd-dr-t-exner/research/plants
Surflex-Dock (Jain, 2003)https://www.biopharmics.com
  • FRED, Fast Rigid Exhaustive Docking; GOLD, Genetic Optimization for Ligand Docking; ICM, Internal Coordinate Mechanics; MOE, Molecular Operating Environment; PLANTS, Protein-Ligand ANTSystem.