An interval-based algorithm to represent conformational states of experimentally determined polypeptide templates and fast prediction of approximated 3D protein structures

  • Authors:
  • Má/rcio Dorn;Osmar Norberto de Souza

  • Affiliations:
  • LABIO, PPGCC, Faculdade de Informá/tica, Pontifí/cia Universidade Cató/lica do Rio Grande do Sul, Av. Ipiranga, 6681, Pré/dio 32, Sala 602 90619-900 - Porto Alegre - RS - Brasil/ I ...;LABIO, PPGCC, Faculdade de Informá/tica, Pontifí/cia UniversidadeCató/lica do Rio Grande do Sul, Av. Ipiranga, 6681, Pré/dio 32, Sala 602 90619-900 - Porto Alegre - RS - Brasil

  • Venue:
  • International Journal of Bioinformatics Research and Applications
  • Year:
  • 2013

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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.