HOMOLOGY AS A TOOL IN OPTIMIZATION PROBLEMS - STRUCTURE DETERMINATION OF 2D HETEROPOLYMERS

被引：13

作者：

KEASAR, C

ELBER, R

机构：

[1] HEBREW UNIV JERUSALEM, DEPT CHEM PHYS, FRITZ HABER RES CTR MOLEC DYNAM, IL-91904 JERUSALEM, ISRAEL

[2] HEBREW UNIV JERUSALEM, ISRAEL CTR STRUCT BIOL, IL-91904 JERUSALEM, ISRAEL

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1995年 / 99卷 / 29期

关键词：

D O I：

10.1021/j100029a038

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A combination of two complementary approaches that are widely used to predict protein structure-homology and energy-based methods-is proposed. The algorithm is discussed in detail and is demonstrated to be a useful tool for optimization. The properties of the combination are exemplified on a simple model system: structural optimization of 2D heteropolymers on a square lattice. The algorithm is considerably more efficient than simulated annealing in the system studied. The relevance of the results of the protein folding problem is discussed.

引用

页码：11550 / 11556

页数：7