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Oxford University Press (OUP), Bioinformatics, 12(26), p. i310-i317

DOI: 10.1093/bioinformatics/btq193

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Fragment-free approach to protein folding using conditional neural fields

Journal article published in 2010 by Feng Zhao, Jian Peng ORCID, Jinbo Xu
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

Motivation: One of the major bottlenecks with ab initio protein folding is an effective conformation sampling algorithm that can generate native-like conformations quickly. The popular fragment assembly method generates conformations by restricting the local conformations of a protein to short structural fragments in the PDB. This method may limit conformations to a subspace to which the native fold does not belong because (i) a protein with really new fold may contain some structural fragments not in the PDB and (ii) the discrete nature of fragments may prevent them from building a native-like fold. Previously we have developed a conditional random fields (CRF) method for fragment-free protein folding that can sample conformations in a continuous space and demonstrated that this CRF method compares favorably to the popular fragment assembly method. However, the CRF method is still limited by its capability of generating conformations compatible with a sequence.