A Genetic Algorithm Based Method for Molecular Docking

The essential of Molecular docking problem is to find the optimum conformation of ligand bound with the receptor at its active site. Most cases the optimum conformation has the lowest interaction energy. So the molecular docking problem can be treated as a minimization problem. An entropy-based evol...

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Bibliographic Details
Published inAdvances in Natural Computation pp. 1159 - 1163
Main Authors Li, Chun-lian, Sun, Yu, Long, Dong-yun, Wang, Xi-cheng
Format Book Chapter Conference Proceeding
LanguageEnglish
Published Berlin, Heidelberg Springer Berlin Heidelberg 2005
Springer
SeriesLecture Notes in Computer Science
Subjects
Applied sciences
Artificial intelligence
Central Processing Unit
Computer science; control theory; systems
Exact sciences and technology
Genetic Algorithm
Model Molecule
Molecular Docking
Virtual Screening
Optimum
Genetic algorithm
Molecular model
Docking
Minimization
Population genetics
Modeling
Optimization
Conformation
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Summary:The essential of Molecular docking problem is to find the optimum conformation of ligand bound with the receptor at its active site. Most cases the optimum conformation has the lowest interaction energy. So the molecular docking problem can be treated as a minimization problem. An entropy-based evolution model for molecular docking is proposed in this paper. The model of molecular docking is based on a multi-population genetic algorithm. Two molecular docking processes are investigated to demonstrate the efficiency of the proposed model.
ISBN:9783540283256
3540283250
3540283234
9783540283232
ISSN:0302-9743
1611-3349
DOI:10.1007/11539117_156