Flexible Docking of Proteins and "Drug-like" Ligands.
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.
Tang
Hai-Xu
HX
Shanghai Institute of Biochemistry, the Chinese Academy of Sciences, Shanghai 200031, China.dingdafu@server.shcnc.ac.cn
Ye
Yu-Zhen
YZ
Ding
Da-Fu
DF