Predicting peptides structure with solvation potential and rotamer library dependent of the backbone

被引：0
|
作者：
Scott, Luis P. B. [1 ]
Chahine, Jorge [2 ]
Ruggiero, Jose R. [2 ]
机构：
[1] Uni Fed ABC, CMCC, BR-09090400 Santo Andre, SP, Brazil
[2] Univ Estadual Paulista, Dept Phys, Sao Paulo, Brazil
来源：
APPLIED MATHEMATICS AND COMPUTATION | 2008年 / 199卷 / 01期
基金：
巴西圣保罗研究基金会;
关键词：
genetic algorithms; optimization; peptide structure; prediction; bioinformatics; rotamer library;
D O I：
10.1016/j.amc.2007.09.038
中图分类号：
O29 [应用数学];
学科分类号：
070104 ;
摘要：
In this work, genetic algorithms concepts along with a rotamer library dependent of backbone and implicit solvation potential are used to study the tertiary structure of peptides. We starting from known primary sequence and optimize the structure of the backbone while the side chains allowed adopting the conformations present in a rotamer library. The GA, implemented with two force fields with a growing complexity, was used predict the structure of a polyalanine and a poly-isolueucine. This paper presents good and interesting results about the study of peptides structures and about the development of computational tools to study peptides structures. (C) 2007 Elsevier Inc. All rights reserved.
引用
收藏
页码：155 / 161
页数：7
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