建立具有正常极低密度脂蛋白（VLDL）受体结合功能的小分子受体片段模型并借助此模型研究VLDL受体与配体结合的作用机制。
The purpose of the paper is to build a module of small molecular receptor fragments charactering normal VLDL-R binding function and study the mechanism of VLDL-R binding to ligand.
通过分子转换法，使蛋白质分子(包括水分子)与配体小分子之间的相互作用逐渐减弱(或增强)至完全消失(或完全出现)。
By the molecular transformation method, the interactions between protein (plus solvent) and its ligand are gradually decreased (or increased) into a non - interacting (or full interacting) state.
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.
该配合物由结构新颖的四核铜单元和均苯三酸配体组成，其在小分子气体吸附和分子过滤等方面具有潜在的应用价值。
It contains some basket shaped building blocks, which is composed of Cu4Cl units and btc ligands, and possesses potential applicability to gas storage and molecular sieves.
该配合物由结构新颖的四核铜单元和均苯三酸配体组成，其在小分子气体吸附和分子过滤等方面具有潜在的应用价值。
It contains some basket shaped building blocks, which is composed of Cu4Cl units and btc ligands, and possesses potential applicability to gas storage and molecular sieves.
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