MDBuilder:a program for the preparation of biomolecular simulations

来源 :中国化学会第14 届全国计算(机)化学学术会议暨分子模拟国际论坛 | 被引量 : 0次 | 上传用户：zhangfalun

【摘要】

：

The preprocessed initial configuration that feeds the molecular dynamics(MD)simulations influences dramatically the outcome of the simulations.

【作者】

：

Hui Liu Ye Jin Youyong Li Tingjun Hou

【机构】

：

College of Pharmaceutical Sciences,Zhejiang University,Hangzhou,Zhejiang 310058,China

【出处】

：

中国化学会第14 届全国计算(机)化学学术会议暨分子模拟国际论坛

【发表日期】

：

2017年10期

【关键词】

：

molecular dynamics preparation PyMOL MDBuilder

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　　The preprocessed initial configuration that feeds the molecular dynamics(MD)simulations influences dramatically the outcome of the simulations.

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MDBuilder:a program for the preparation of biomolecular simulations

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