A Genetic Algorithm Based Method for Molecular Docking

• Published in: Advances in Natural Computation pp. 1159 - 1163
• Main Authors: Li, Chun-lian, Sun, Yu, Long, Dong-yun, Wang, Xi-cheng
• Format: Book Chapter Conference Proceeding
• Language: English
• Published: Berlin, Heidelberg Springer Berlin Heidelberg 2005; Springer
• Series: Lecture 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

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...