采用分子动力学模拟(Molecular dynamics simulation，MD)方法，对纳米尺度圆柱形管道中的溶液内粒子分布及电渗流运动情形进行了模拟仿真，得到了一些有用的结果和重...
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采用分子动力学模拟方法，从分子水平对磁化增注的机理进行了模拟研究。
The molecular dynamics simulations were adopted to investigate the mechanism of magnetization increasing injection.
采用分子动力学模拟方法对不同磁场、 温度条件下水溶液的结晶过程进行了模拟研究。
The molecular dynamics simulation was adopted to investigate the crystallization in water solution under the conditions of various magnetic fields and temperatures.
采用分子动力学模拟和MM - PBSA相结合方法计算了HIV蛋白酶和抑制剂的结合自由能。
In this paper, the binding free energy between HIV protease and inhibitor is calculated by molecular dynamics simulation with MM-PBSA method.
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