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Genomics-aided structure prediction.
Title | Genomics-aided structure prediction. |
Publication Type | Journal Article |
Year of Publication | 2012 |
Authors | Sułkowska, JI, Morcos, F, Weigt, M, Hwa, T, Onuchic, JN |
Journal | Proc Natl Acad Sci U S A |
Volume | 109 |
Issue | 26 |
Pagination | 10340-5 |
Date Published | 2012 Jun 26 |
ISSN | 1091-6490 |
Keywords | Amino Acid Sequence, Genomics, Molecular Dynamics Simulation, Molecular Sequence Data, Proteins, Sequence Homology, Amino Acid |
Abstract | We introduce a theoretical framework that exploits the ever-increasing genomic sequence information for protein structure prediction. Structure-based models are modified to incorporate constraints by a large number of non-local contacts estimated from direct coupling analysis (DCA) of co-evolving genomic sequences. A simple hybrid method, called DCA-fold, integrating DCA contacts with an accurate knowledge of local information (e.g., the local secondary structure) is sufficient to fold proteins in the range of 1-3 Å resolution. |
DOI | 10.1073/pnas.1207864109 |
Alternate Journal | Proc. Natl. Acad. Sci. U.S.A. |
PubMed ID | 22691493 |
PubMed Central ID | PMC3387073 |