高等学校化学学报 , 曹槐,刘次全 Tobramycin与16S rRNA A位点复合物的分子动力学模拟 采用分子动力学方法(Molecular dynamics, MD)对托普霉素(Tobramycin)与16S rRNA的A位点复合物的特异性识别机制进行了理论模拟研究
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采用分子动力学方法研究了气液共存体系的蒸发与凝结现象。
Evaporation and condensation in the liquid vapor coexistent system are studied with molecular dynamics simulations.
采用分子动力学方法，对不同雷诺数的纳米柱绕流问题进行模拟。
Molecular dynamics simulations were carried out to study the fluid flow pass a circular cylinder at different Reynolds number at microscopic level.
采用分子动力学方法模拟了铝单晶、双晶及其含氢模型在拉伸条件下的力学特性。
The MD (Molecular dynamics) method is used to investigate the he (Hydrogen Embrittlement) fracture of single-crystal and twin-crystal aluminum under tension.
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