SEARCHING FOR GEOMETRIC MOLECULAR SHAPE COMPLEMENTARITY USING BIDIMENSIONAL SURFACE PROFILES

被引：14

作者：

BADEL, A ^{[1
]}

MORNON, JP ^{[1
]}

HAZOUT, S ^{[1
]}

机构：

[1] UNIV PARIS 06,MINERAL CRISTALLOG LAB,PARIS,FRANCE

来源：

JOURNAL OF MOLECULAR GRAPHICS | 1992年 / 10卷 / 04期

关键词：

COMPLEX FORMATION; MOLECULAR SURFACE; MATCHING PATTERN; SECTION COMPLEMENTARITY;

D O I：

10.1016/0263-7855(92)80069-P

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

The study presented herein is a bidimensional approach to the complementarity of two molecular surfaces. From two chosen sections we have established a methodology of generating the optimal matching of two shapes. Our approach consists in describing two molecular surface sections by a shape vector (the angular profile), in finding their matching patterns by comparison of the two profiles, and in optimizing the relative locations of the two sections in two-dimensional space, using rotations and translations defined by geometric characteristics. The set of optimal configurations are successively displayed on a screen. Satisfying results have been obtained for the matching of the complex kallikreine A-trypsin pancreatic bovin 2. This efficient method could be used as a preprocessing for a tridimensional shape complementarity approach between two molecular surfaces.

引用

页码：205 / 211

页数：7

共 16 条

[1] SURFACE FRACTALITY AS A GUIDE FOR STUDYING PROTEIN - PROTEIN INTERACTIONS [J].