[通过新型分子动力学方法开发膜透系数]
Ryuhei Harada1, Yuki Mitsuta2, Yasuteru Shigeta1
1Center for Computational Sciences, University of Tsukuba.
概括
这项研究引入了一种新的混合增强采样方法,结合并列级联选择分子动力学 (PaCS-MD) 和异常洪水 (OFLOOD),以有效地研究罕见的生物事件,如膜透.
科学领域:
- 计算化学计算化学
- 生物物理学的生物物理.
- 分子建模分子建模
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