De novo protein conformational sampling using a probabilistic graphical model.
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ABSTRACT:
SUBMITTER: Bhattacharya D
PROVIDER: S-EPMC4635387 | biostudies-literature | 2015 Nov
REPOSITORIES: biostudies-literature
Publications
De novo protein conformational sampling using a probabilistic graphical model.
Bhattacharya Debswapna D Cheng Jianlin J
Scientific reports 20151106
Efficient exploration of protein conformational space remains challenging especially for large proteins when assembling discretized structural fragments extracted from a protein structure data database. We propose a fragment-free probabilistic graphical model, FUSION, for conformational sampling in continuous space and assess its accuracy using 'blind' protein targets with a length up to 250 residues from the CASP11 structure prediction exercise. The method reduces sampling bottlenecks, exhibits ...[more]
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