Investigation on Thermophysical Properties of Structure Ⅱ Clathrate Hydrates Using Molecular Dynamic

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户:wangxintju4
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  The fundamental properties of sII hydrates are important for investigation of sII gas hydrates occurring in petroleum pipelines and nature.
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蛋白质超粗粒化模型是近年来处于发展中的一种运用于超大生物分子体系模拟的理论模型。在超粗粒化模型中,一个超粗粒化粒子表示多个蛋白质的氨基酸残基。与一般基于蛋白质残基的粗粒化模型不同,超粗粒化模型能够用最少的粗粒化粒子表示蛋白质的二级结构,并可以进一步降低计算时间。