Sequence Co-Evolutionary Information is a Natural Partner to Minimally-Frustrated Models of Biomolecular Dynamics

dc.contributor.Scopus16031594600 (Morcos, F)en_US
dc.contributor.authorNoel, Jeffrey K.en_US
dc.contributor.authorMorcos, Farucken_US
dc.contributor.authorOnuchic, Jose N.en_US
dc.contributor.utdAuthorMorcos, Farucken_US
dc.date.accessioned2018-06-01T16:34:07Z
dc.date.available2018-06-01T16:34:07Z
dc.date.created2016-01-26
dc.date.issued2016-01-26en_US
dc.description.abstractExperimentally derived structural constraints have been crucial to the implementation of computational models of biomolecular dynamics. For example, not only does crystallography provide essential starting points for molecular simulations but also high-resolution structures permit for parameterization of simplified models. Since the energy landscapes for proteins and other biomolecules have been shown to be minimally frustrated and therefore funneled, these structure-based models have played a major role in understanding the mechanisms governing folding and many functions of these systems. Structural information, however, may be limited in many interesting cases. Recently, the statistical analysis of residue co-evolution in families of protein sequences has provided a complementary method of discovering residue-residue contact interactions involved in functional configurations. These functional configurations are often transient and difficult to capture experimentally. Thus, co-evolutionary information can be merged with that available for experimentally characterized low free-energy structures, in order to more fully capture the true underlying biomolecular energy landscape.;en_US
dc.description.sponsorshipCenter for Theoretical Biological Physics sponsored by the National Science Foundation (grants PHY-1427654 and NSF-MCB-1214457); Welch Foundation (grant C-1792).en_US
dc.identifier.bibliographicCitationNoel, Jeffrey K., Faruck Morcos, and Jose N. Onuchic. 2016. "Sequence co-evolutionary information is a natural partner to minimally-frustrated models of biomolecular dynamics." F1000research 5(106), doi:10.12688/f1000research.7186.1en_US
dc.identifier.issn2046-1402en_US
dc.identifier.urihttp://hdl.handle.net/10735.1/5822
dc.identifier.volume5en_US
dc.publisherF1000 Research Ltden_US
dc.relation.urihttp://dx.doi.org/10.12688/f1000research.7186.1
dc.rightsCC BY 4.0 (Attribution)en_US
dc.rights©2016 The Authors. All Rights Reserved.en_US
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/en_US
dc.sourceF1000research
dc.subjectComputational biologyen_US
dc.subjectMolecular biologyen_US
dc.subjectProtein engineeringen_US
dc.subjectNuclear magnetic resonanceen_US
dc.subjectX-ray crystallographyen_US
dc.titleSequence Co-Evolutionary Information is a Natural Partner to Minimally-Frustrated Models of Biomolecular Dynamicsen_US
dc.type.genrearticleen_US

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