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论文类型：期刊论文

发表时间：2011-03-01

发表刊物：2011 International Conference on Intelligent Computing and Information Science (ICICIS 2011)

收录刊物：SCIE、CPCI-S、Scopus

卷号：14

期号：3,SI

页面范围：939-944

ISSN号：1343-4500

关键字：PSO; AutoDock; Molecular docking; Momentum PSO

摘要：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.