An Evolvement-based Genetic Algorithm for Computer-aided Molecular Docking.

Autor: Kang Ling, Zhao Xiaoyu, Chen Xi, Wang Xicheng
Předmět:
Zdroj: AIP Conference Proceedings; 5/21/2010, Vol. 1233 Issue 1, p545-548, 4p, 1 Black and White Photograph, 1 Chart
Abstrakt: Species dynamics model is introduced into the genetic algorithm to reflect the true state of evolution. An adaptive evolution algorithm is developed. In the algorithm, an adaptive strategy is used to overcome the difficulty of confirming the crossover and mutation probabilities. Small population strategy and optimal strategy ensure the diversity of the populations. Numerical results show that introducing species dynamics model can improve the efficiency of the algorithm. Based on the genetic algorithm, a new molecular docking program is developed. Docking result indicates that the algorithm can effectively solve the molecular docking problem. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index