LIGPLOT - A PROGRAM TO GENERATE SCHEMATIC DIAGRAMS OF PROTEIN LIGAND INTERACTIONS

LIGPLOT - A PROGRAM TO GENERATE SCHEMATIC DIAGRAMS OF PROTEIN LIGAND INTERACTIONS
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DOI:
10.1093/protein/8.2.127
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发表时间:
1995-02-01
期刊:
PROTEIN ENGINEERING
影响因子:
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通讯作者:
THORNTON, JM
THORNTON, JM
中科院分区:
其他
文献类型:
--
作者:
WALLACE, AC;LASKOWSKI, RA;THORNTON, JM

文献摘要

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LIGPLOT程序从标准蛋白质数据库文件输入自动生成蛋白质-配体复合物的示意性2-D表示。输出是一个彩色或黑白白色的Postscript文件,提供了分子间相互作用及其强度的简单和信息性的表示,包括氢键,疏水相互作用和原子辅助。该程序对任何配体都是完全通用的,也可以用于显示蛋白质和核酸中其他类型的相互作用。它的设计是为了促进许多酶复合物的快速检测,但也发现了许多其他应用。
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.