蛋白质折叠的计算机模拟

Computer Simulation for Protein Folding

介绍了计算机模拟蛋白质折叠问题的背景、模型和意义 .在对模型问题采用 Monte- Carlo方法和单纯遗传算法得到能量最小构象的基础上 ,提出了适用的混合遗传算法 ,并通过计算机模拟试验对三种方法作了比较 .计算结果表明 ,对于蛋白质折叠的二维晶格模型而言 ,混合遗传算法优于通常的 Monte-

We mainly introduce the background,model and importance of computer simulation for protein folding. On the basis of getting the lowest energy conformation of the lattice model with Monte Carlo method and genetic algorithm, we present a hybrid genetic algorithm search procedure suitable for use in protein folding simulations. The three methods are compared with computer simulation test. The computing results indicate that the hybrid genetic algorithm is superior to conventional Monte Carlo and genetic algorithm for protein folding on two dimension lattice model.