A Comparison of Three Heuristic Algorithms for Molecular Docking
نویسندگان
چکیده
Three heuristic algorithms: simulated annealing, genetic algorithm, and Tabu search were compared to molecular docking procedure using 3 protein-ligand systems. Statistical analysis of the results indicated that the Tabu search showed the best performance in terms of locating solutions close to the crystallographic ligand conformation. From the comparisons, a hybrid search algorithm was proposed, which gave superior results compared with any one of the algorithms alone.
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