. Author manuscript; available in PMC: 2018 Mar 28.

Published in final edited form as: J Chem Inf Model. 2017 Jul 12;57(7):1579–1590. doi: 10.1021/acs.jcim.7b00153

Table 2.

Search and Scoring Strategies used by Docking Programs

docking program	search algorithm	scoring function
AutoDock v4.2	Lamarkian genetic algorithm with simulated annealing	force field
DOCK v6.7	incremental construction (anchor-and- grow)	force field
FRED v3.0.1	exhaustive rigid docking search, discretized configuration space	empirical
HYBRID v3.0.1	exhaustive rigid docking search, discretized configuration space	knowledge-based + empirical
PLANTS v1.2	ant colony optimization	empirical
rDock v2013.1	genetic algorithm, Monte Carlo, minimization	empirical
Smina 1.1.2	iterated local search global optimzer	knowledge-based
Surflex-Dock v3.040	incremental construction with matching algorithm	empirical