title: An interval-based algorithm to represent conformational states of experimentally determined polypeptide templates and fast prediction of approximated 3D protein structures.
abstract: Predicting the three-dimensional (3-D) structure of a protein that has no templates in the Protein Data Bank (PDB) is a very hard, still an impossible task. Computational prediction methods have been developed during the last years, but the problem still remains challenging. In this paper we present a new strategy based on Interval Arithmetic to store structural information obtained from experimental protein templates and predict native-like approximate three-dimensional structures of proteins. Our objective is to perform the prediction in a very fast manner and predict native-like structures that can be used as starting point structures to ab initio methods. We illustrate the efficacy of our method in five case studies of polypeptides.
authors.affiliation: LABIO, PPGCC, Faculdade de Informática, Pontifícia Universidade Católica do Rio Grande do Sul, Av. Ipiranga, 6681, Prédio 32, Sala 602 90619-900 - Porto Alegre - RS - Brasil. marcio.dorn@acm.org
authors.forename: Márcio
authors.initials: M
authors.lastname: Dorn
authors.forename: Osmar Norberto de
authors.initials: ON
authors.lastname: Souza
mesh_terms: D000465:Algorithms; D030562:Databases, Protein; D010455:Peptides / Q000737:chemistry*; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry*
chemical_list: D010455:Peptides; D011506:Proteins