遗传算法在构象搜寻中的应用

THE APPLICATION OF GENETIC ALGORITHMS IN CONFORMATIONAL SEARCH

遗传算法是一种模仿自然进化进程的新颖的启发式优化方法。通过它，人们可以在计算机上对所需的各种问题实施进化操作，最终产生理想的结果。遗传算法现已被广泛用于计算机辅助设计、工程设计、系统模拟等领域并取得了极大的成功。本文拟对遗传算法在对大、中、小分子的构象搜寻中的应用作一较全面的综述。

Genetic algorithms is a novel stochastic optimization technique which simulates the natural evolution process.Using genetic algorithms on a computer,scientists can manipulate a wide variety of problems to evolve and get satisfying resolutions eventually.Genetic algorithm has been widely and successfully used in computer-aided design,engineering design and system imitation.In this review,we will overally describe the application of genetic algorithms in conformational search of small,medium sized and macro molecules.