... 的分子动力学模拟研究 石颂剑 罗飞 姜欣 王雄 王灿 赵强 张丰收 【摘要】： 运用分子动力学方法(Molecular Dynamics,MD),通过模拟计算,研究了C_(20)@C_(240)和C_(60)@C_(240)分子的结构稳定性和热...
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为揭示超薄膜的特性与其微观结构的关系，运用分子动力学模拟的方法进行了研究。
Molecular dynamics simulation was employed in this paper to investigate the relation between the properties of ultra thin films and their microstructure.
本文运用分子对接和分子动力学模拟的方法，对精氨酸酶进行手性选择性研究。
In this study, the chiral selectivity of arginase was investigated by means of molecular dynamics and molecular docking.
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