NDLI: An improved adaptive genetic algorithm for protein

Content Provider	Springer Nature Link
Author	Kang, Ling Li, Honglin Jiang, Hualiang Wang, Xicheng
Copyright Year	2008
Abstract	A new optimization model of molecular docking is proposed, and a fast flexible docking method based on an improved adaptive genetic algorithm is developed in this paper. The algorithm takes some advanced techniques, such as multi-population genetic strategy, entropy-based searching technique with self-adaptation and the quasi-exact penalty. A new iteration scheme in conjunction with above techniques is employed to speed up the optimization process and to ensure very rapid and steady convergence. The docking accuracy and efficiency of the method are evaluated by docking results from GOLD test data set, which contains 134 protein–ligand complexes. In over 66.2% of the complexes, the docked pose was within 2.0 Å root-mean-square deviation (RMSD) of the X-ray structure. Docking time is approximately in proportion to the number of the rotatable bonds of ligands.
Starting Page	1
Ending Page	12
Page Count	12
File Format	PDF
ISSN	0920654X
Journal	Journal of Computer-Aided Molecular Design
Volume Number	23
Issue Number	1
e-ISSN	15734951
Language	English
Publisher	Springer Netherlands
Publisher Date	2008-09-06
Publisher Place	Dordrecht
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Genetic algorithms Information entropy Molecular docking Optimization design Penalty function Self-adaptation Computer Applications in Chemistry Animal Anatomy / Morphology / Histology Physical Chemistry
Content Type	Text
Resource Type	Article
Subject	Drug Discovery Physical and Theoretical Chemistry Computer Science Applications

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