Method a coarse grained moleculardynamicsmethod is adopted to simulate the collapse of the biomolecules with two kinds of sequence composition.
方法基于粗粒化分子动力学模拟方法,研究均匀分子链和非均匀分子链的自组织坍塌过程。
2
By using the ab initio moleculardynamicsmethod, we have studied the structural properties of liquid gallium at high temperature and high density.
采用第一性原理分子动力学方法研究了高温下正常密度和高密度液体镓的结构和性质。
3
In this article, we systematically review several general molecular simulation methods: quantum mechanics methods, Monte Carlo method and moleculardynamicsmethod.