REPRESENTATION OF NONCOVALENT INTERACTIONS IN PROTEIN STRUCTURES

被引：9

作者：

DELACRUZ, X ^{[1
]}

REVERTER, J ^{[1
]}

FITA, I ^{[1
]}

机构：

[1] UNIV POLITECN CATALUNYA, ESCOLA TECN ENGINYERS IND BARCELONA, DEPT INGN QUIM, AVINGUDA DIAGONAL 647, E-08028 BARCELONA, SPAIN

来源：

JOURNAL OF MOLECULAR GRAPHICS & MODELLING | 1992年 / 10卷 / 02期

关键词：

NONCOVALENT INTERACTIONS IN PROTEIN STRUCTURES; STABILITY OF PROTEIN CONFORMATIONS; FREE ENERGY OF SOLVATION;

D O I：

10.1016/0263-7855(92)80062-I

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

The energetics of solvent-atom and atom-atom nonbonded interactions can be described, for protein structures, in terms of the accessible1 and the contact2 atomic surface areas, respectively. This type of description emphasizes the importance of the local environment around groups in the three-dimensional structure of protein molecules. The graphical representation of nonbonded interactions according to this description allows one to visualize the spatial extent and distribution of these interactions and the relative stability of atoms or atomic groups in known or modified protein conformations. Applications of this short range description and of its graphical representation will be discussed.

引用

页码：96 / 100

页数：5

共 18 条

[1] STRUCTURAL AND ENERGETIC EFFECTS OF TRUNCATING LONG RANGED INTERACTIONS IN IONIC AND POLAR FLUIDS [J].