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. 2020 Jul 22;21(15):5183. doi: 10.3390/ijms21155183

Table 1.

Overview of the scoring functions and search algorithms of the programs tested.

Program Scoring Function Search Algorithm
AutoDock Vina Empirical + Knowledge-based Random perturbation
(Metropolis–Hastings),
local optimization (BFGS)
PLANTS Empirical Ant colony optimization
Gold Empirical + Physics-based Genetic algorithm (GA)
Glide Empirical + Physics-based Hierarchical search, local optimization
Molegro Empirical + Physics-based Guided differential evolution (DE)
AutoDock 4 (AD4) Empirical + Physics-based Lamarckian Genetic algorithm (LGA)
rDock Empirical GA, simulated annealing
Simplex minimization