ARP/wARP's model-building algorithms.: I.: The main chain

被引：217
|
作者：
Morris, RJ
Perrakis, A
Lamzin, VS
机构：
[1] DESY, EMBL Hamburg, D-22603 Hamburg, Germany
[2] NKI, Dept Mol Carcinogenesis, NL-1066 CX Amsterdam, Netherlands
来源：
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY | 2002年 / 58卷
关键词：
D O I：
10.1107/S0907444902005462
中图分类号：
Q5 [生物化学];
学科分类号：
071010 ; 081704 ;
摘要：
Algorithms underlying the automatic model-building functionality of the ARP/wARP software suite are presented. Finding the most likely set of Calpha atoms from a given set of atoms is formulated as a constrained integer programming problem. The objective function is a density-weighted score for the match between observed and expected chain conformation. Graph-search algorithms are presented that find solutions to this problem in an efficient manner.
引用
收藏
页码：968 / 975
页数：8
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