1CHEN KAI, LI TONGHUA, CAO TONGCHENG. Tribe PSO:A novel global optimization algorithm and its applica- tion in molecular docking [J]. Chemometrics and Intelligent Laboratory Systems, 2006 (82) : 248-259.
2FISCHER E. Einjluss der configuration auf die wirkung der enzyme, beriehte der deutschen chemischen[J]. Gesellschaft, 1894,27(3) :2985-2993.
3KOSHLAND JR D. Application of a theory of enzyme speci- ficity to protein synthesis[J]. Proceedings of the National A- cademy of Sciences of the United States of America, 1958,44 (2) :98.
4T J A EWING,S MAKINO,A G SKILLMAN,et al. Dock 4. 0 : Search strategies for automated molecular docking of flexi- ble molecule databases[J]. Journal of Computer-Aided Mo- lecular Design,2001,15(5) :411-428.
5G M MORRIS,D S GOODSELL,R S HALLIDAY,et al. Au- tomated docking using a lamarckian genetic algorithm and an empirical binding free energy function[J]. Journal of Compu- tational Chemistry, 1998,19 (14) : 1639-1662.
6KUNTZ I D. Structure-based strategies for drug design and discovery[J]. Sciences, 1992,257(21) :1078-1082.
7D S GOODSELLANDA, J OLSON. Automated Docking of Substrates to Proteins by Simulated Annealing [J]. Proteins: Struet, F unet ,genet,1990 , ( 8 ) :195-202.
8HALPERINL, MA B, WOLFSAN HJ, et al. Principles of docking : anover view of search algorithms and a guide to scoring functions[J]. Proteins, 2002,47 (4) : 409-430.
9CHEN YZ, ZHI DG. Ligand-protein inverse docking and its potential use in the computer search of protein targets of a small molecule[J]. Proteins,2001,43(2) :217-226.
10YUE QX, CAO ZW, GUAN SH, et al. Proteomics charac- terization of the cytotoxicity mechanism of ganoderic acid D and computer-automated estimation of the possible drug tar- get network[J]. Mol cell proteomics, 2008,7 (9) .. 949-961.
4Comeau SR, Gatchell DW, Vajda S, et al. ClusPro: an automated docking and discrimination method for the prediction of protein complexes[J]. Bioinformatics, 2004, 20 (1):45-50.
5Rodrigues LF, Dupret JM. 3D Model of Human Arylamine N-Acetyltransferase 2: Structural Basis of the Slow Acetylator Phenotype of the R64Q Variant and Analysis of the Active-Site Loop [J]. Bioehemi Biophysi Res Commun, 2002,291(1) : 116 - 123.
6Lee K, Czaplewski C, Kim SY, et al. An efficient molecular docking using conformational space annealing [ J ]. J Comput Chem, 2005,26(5) : 78 - 87.
7Romkes M, Buch SC. Genotyping technologies: application to biotransformation enzyme genetic polymorphism screening[J]. Methods Mol Biol, 2005,291 (4) :399 - 414.
8Johnson JA, Turner ST. Hypertension pharmacogenomics: current satus and future directions [ J ]. Curr Opin Mol Ther, 2005(1) :218 - 225.
9Smellie A, Stanton R, Henne R, et al. Conformational analysis by interseetion [ J ]. Comput Chem, 2003,24 ( 3 ) : 10 - 20.
10Eriekson JA, Jalaie M, Robertson DH, et al. Lessons in molecular recognition: the effects of ligand and protein flexibility on molecular docking accuracy [ J ]. Med Chem, 2004,47(2) :45 - 55.