molecular mechanics method的意思|示意

In this paper, the symmetry analysis method is used to compute and analyse the rotation inertia, polarizability, selection rule in mechanics, electricity, atomic and molecular spectroscopy.

本文用对称分析方法，分析计算了力学、电学、固体物理学、原子和分子光谱学中的转动惯量、极化率、选择定则等。

Using homology method, mutant ricin toxin A-chain(MRTA) deleting part of amino acid sequence was modeled by molecular mechanics optimization and molecular dynamics simulated annealing.

利用同源模建的方法，借助分子力学优化、分子动力学模拟退火设计构建了删除部分氨基酸序列的蓖麻毒素A链突变体（MRTA）。

In particular, it is emphasized that the physical mechanics method, the theoretical basic of which is the atomic and molecular theory, is important to the radiation characteristic research for plume.

特别对以原子分子理论为基础的物理力学方法研究尾喷焰辐射特性的重要性进行了论述。

In this article, we systematically review several general molecular simulation methods: quantum mechanics methods, Monte Carlo method and molecular dynamics method.

常用的分子模拟方法有：量子力学法、分子力学方法、蒙特卡洛法和分子动力学法。

In the second chapter, some computational methods including quantum chemistry method, Molecular Mechanics, Molecular Dynamic simulation, Monte Carlo method and so on, were briefly reviewed.

在第二章中，简要介绍了常用的计算化学方法，主要包括量子化学方法、分子力学、分子动力学和蒙特卡罗等方法。

METHOD: the molecular mechanics and molecular dynamics programs were employed to calculate the inclusion cases of cyclodextrins to artemisinins at molar ratio being 1:1.

方法：采用分子力学和分子动力学计算程序，考察1：1摩尔比时的各种包结情形。