Predicting peptides structure with solvation potential and rotamer library dependent of the backbone
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Data
2008-05-15
Autores
Scott, Luis P. B.
Chahine, Jorge [UNESP]
Ruggiero, José Roberto [UNESP]
Título da Revista
ISSN da Revista
Título de Volume
Editor
Elsevier B.V.
Resumo
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 B.V. All rights reserved.
Descrição
Palavras-chave
genetic algorithms, Optimization, peptide structure, prediction, Bioinformatics, rotamer library
Como citar
Applied Mathematics and Computation. New York: Elsevier B.V., v. 199, n. 1, p. 155-161, 2008.