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.

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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.

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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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