title: Flexible Docking of Proteins and "Drug-like" Ligands.
abstract: By using "tabu search" algorithm and Gehlhaar potential function, a new approach is presented for flexible docking of protein and its "drug-like" ligand has been developed. Computational test for this method with a set of 100 complexes has been performed, which indicated that the deviation of 89% of the predicted complex conformation was less than 0.25 nm. Compared with GOLD, a program of genetic algorithm, our method has high accuracy, low limit and short computation time.
authors.affiliation: Shanghai Institute of Biochemistry, the Chinese Academy of Sciences, Shanghai 200031, China.dingdafu@server.shcnc.ac.cn
authors.forename: Hai-Xu
authors.initials: HX
authors.lastname: Tang
authors.forename: Yu-Zhen
authors.initials: YZ
authors.lastname: Ye
authors.forename: Da-Fu
authors.initials: DF
authors.lastname: Ding