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LIGPLOT:一个用于生成蛋白质-配体相互作用示意图的程序。

LIGPLOT: a program to generate schematic diagrams of protein-ligand interactions.

作者信息

Wallace A C, Laskowski R A, Thornton J M

机构信息

Department of Biochemistry and Molecular Biology, University College, London, UK.

出版信息

Protein Eng. 1995 Feb;8(2):127-34. doi: 10.1093/protein/8.2.127.

Abstract

The LIGPLOT program automatically generates schematic 2-D representations of protein-ligand complexes from standard Protein Data Bank file input. The output is a colour, or black-and-white, PostScript file giving a simple and informative representation of the intermolecular interactions and their strengths, including hydrogen bonds, hydrophobic interactions and atom accessibilities. The program is completely general for any ligand and can also be used to show other types of interaction in proteins and nucleic acids. It was designed to facilitate the rapid inspection of many enzyme complexes, but has found many other applications.

摘要

LIGPLOT程序可根据标准蛋白质数据库文件输入自动生成蛋白质-配体复合物的二维示意图。输出的是一个彩色或黑白的PostScript文件,它能简单且直观地呈现分子间相互作用及其强度,包括氢键、疏水相互作用和原子可及性。该程序对任何配体都完全通用,还可用于展示蛋白质和核酸中的其他类型相互作用。它旨在便于快速查看众多酶复合物,但已发现了许多其他应用。

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