MOLECULAR-SURFACE REPRESENTATIONS BY SPARSE CRITICAL-POINTS

被引：96

作者：

LIN, SL

NUSSINOV, R

FISCHER, D

WOLFSON, HJ

机构：

[1] NCI,FCRF,MATH BIOL LAB,FREDERICK,MD 21702

[2] PRI DYNACORP,FREDERICK,MD 21702

[3] TEL AVIV UNIV,DEPT COMP SCI,IL-69978 TEL AVIV,ISRAEL

[4] TEL AVIV UNIV,SACKLER INST MOLEC MED,IL-69978 TEL AVIV,ISRAEL

来源：

PROTEINS-STRUCTURE FUNCTION AND GENETICS | 1994年 / 18卷 / 01期

关键词：

SURFACE REPRESENTATION; MOLECULAR RECOGNITION; PROTEIN DOCKING; SURFACE TRIANGULATION; MOLECULAR GRAPHICS; MOLECULAR VISUALIZATION;

D O I：

10.1002/prot.340180111

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

We have defined a molecular surface representation that describes precisely and concisely the complete molecular surface. The representation consists of a limited number of critical points disposed at key locations over the surface. These points adequately represent the shape and the important characteristics of the surface, despite the fact that they are modest in number. We expect the representation to be useful in areas such as molecular recognition and visualization. In particular, using this representation, we are able to achieve accurate and efficient protein-protein and protein-small molecule docking. (C) 1994 Wiley-Liss, Inc.*

引用

页码：94 / 101

页数：8

共 27 条

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