粗粒化动力学模拟在膜蛋白研究中的应用
首发时间:2012-01-06
摘要:近年来分子动力学模拟成为了研究膜蛋白的结构动力学性质的新方法,粗粒化动力学模拟克服了传统全原子动力学模拟遇到的困难,其通过适当的简化全原子模型,降低了模拟的计算量,减少了体系的自由度,提高了计算效率。可以用来研究更长时间跨度和更大体积的膜蛋白体系,更深层次的了解膜蛋白的相互作用过程。
For information in English, please click here
Application of Coarse-Grained molecular dynamics simulations in membrane protein research
Abstract:In recent years, molecular dynamics simutlation have provided a new method to study the conformational dynamics of membrane proteins. And the emerging coarse-grained method, which simplifies the molecular model, can overcome several bottlenecks in traditional atomistic molecular dynamics simulations and make it possible for simulations of the membrane protein of longer time scales and larger systems.
Keywords: membrane protein molecular dynamics simutlation coarse-grained
论文图表:
引用
No.****
同行评议
勘误表
粗粒化动力学模拟在膜蛋白研究中的应用
评论
全部评论0/1000