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Indexed by:期刊论文

Date of Publication:2011-03-01

Journal:2011 International Conference on Intelligent Computing and Information Science (ICICIS 2011)

Included Journals:SCIE、CPCI-S、Scopus

Volume:14

Issue:3,SI

Page Number:939-944

ISSN No.:1343-4500

Key Words:PSO; AutoDock; Molecular docking; Momentum PSO

Abstract:The molecular docking problem is how to find a good conformation for docking a ligand to a large receptor molecule. It can be formulated as a parameter optimization problem consisting of a scoring function and a global optimization method. In this paper, a Particle Swarm Optimizations variant named Momentum Particle Swarm Optimization was introduced to cooperate with the semiempirical free energy force field in AutoDock 4.2. The result demonstrates that this new molecular docking method surpassed AutoDock and SODOCK. Compared with the four currently widely used methods-GOLD, DOCK, FlexX and AutoDock, Momentum PSODock is more accurate.