这篇综述概要介绍分子柔性对接技术的进展并重点介绍分子动力学模拟技术。
This review will outline the recent progress in flexible docking and focus on the molecular dynamics simulation techniques.
分子链的取向程度随柔性间隔链段长度的增加而减小。
The degree of the chain orientation decreases with increase of the length of the flexible chain spacer.
固载方法有柔性配体法、模板合成法、分子渗透法及沸石合成法。
The method of encapsulation included flexible ligand route, template synthesis route, molecular impregnation route and zeolite route.
本文介绍了环氧树脂高性能化的方法是将环氧树脂低分子量化、多官能团化、以及在柔性链段中引入刚性基团，并例举了高性能环氧树脂的实例。
The method of high-performance is that made epoxy resin, low molecular weight multifunctional and into rigid perssad on flexible segment, given an example.
分析了大单体分子链中刚性链段和柔性链段对材料性能的影响。
The influence of rigid chain and flexible chain in macromonomer chain with the performances of materials was analysed.
得出，结构变形对吸附分子在柔性金属-有机骨架中的吸附和扩散性质有重要影响。
It could be concluded that structure deformation strongly affected the adsorption and diffusion characteristic of adsorbate in flexible metal-organic frameworks (MOFs).
将自洽系综最优化方法（SCEO）推广到主链可变的分子体系，并以此来实现蛋白质复合物结合界面的柔性优化。
Self consistent ensemble optimization (SCEO) method was applied to the situation considering flexible backbones to predict the three dimensional structure of interfaces of protein complexes.
首先阐述了分子对接设计的基本原理，然后在蛋白质受体中引入关键残基的概念，建立了一个新的柔性分子对接模型。
The basic theory of molecular docking design was first briefly described, and then the concept of the key residues in the protein receptor was introduced to establish a new flexible docking model.
研完了分子链的柔性、分子结构和共轭度对中介相转变温度的影响。
The results showed that the phase transition of model compounds and polymers depend upon molecular structure, conjugated chain and molecular flexibility.
从主链结构、液晶基元类型和柔性间隔出发介绍了侧链液晶高分子分子设计的关键。
The keys in molecular design of side chain liquid crystal polymers are analyzed from the main chain structures, types of main units and flexible spacing.
但因扩链剂的加入，在PET 分子链中引入的柔性链段而导致聚合物弹性模量下降。
The addition of the chain-extenders would introduce the flexible segments into recycled PET and resulted in lower modulus of the plastics.
依据液晶分子结构理论，选择联苯基作为介晶基元，六亚甲基为柔性间隔基，合成了一种丙烯酸酯侧链型液晶高分子。
Based on the liquid crystalline polymer theory, a kind of polyacrylate was synthesized by choosing biphenyl group as rigid nucleus of mesogenic unit and hexylidene as flexible spacing group.
线棒——是由一种钢合金与高分子塑料的复合管，其外层与内层均为复合塑料涂层，通过粘合剂与中间层钢合金管道复合成一体的柔性管道。
The flexible pips are made by one kind of steel alloyed and the macromolecule plastic composite pipe (lean pipe). The outer and inner layers of the pipe are coated composite plastics.
研究了主链型液晶高分子中柔性间隔基因对聚合物结构和液晶性的影响规律。
The effect of flexible spacer on the spatial configuration, orientational order parameter and thermodynamic properties of main chain liquid crystal polymer is investigated theoretically.
模型中引入残基基团的概念，将蛋白质划分成若干个残基基团，通过这些残基基团的运动近似表征整个蛋白质的运动情况，并将配体小分子的运动处理为平移、转动和柔性键旋转三部分分量。
In the model, a concept of residue groups is introduced to describe the protein movement approximately and the movement of ligand is described by the translation, votation and torsion motions.
模型中引入残基基团的概念，将蛋白质划分成若干个残基基团，通过这些残基基团的运动近似表征整个蛋白质的运动情况，并将配体小分子的运动处理为平移、转动和柔性键旋转三部分分量。
In the model, a concept of residue groups is introduced to describe the protein movement approximately and the movement of ligand is described by the translation, votation and torsion motions.
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