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Frequent side chain methyl carbon‐oxygen hydrogen bonding in proteins revealed by computational and stereochemical analysis of neutron structures
dc.contributor.authorYesselman, Joseph D.en_US
dc.contributor.authorHorowitz, Scotten_US
dc.contributor.authorBrooks, Charles L.en_US
dc.contributor.authorTrievel, Raymond C.en_US
dc.date.accessioned2015-03-05T18:24:17Z
dc.date.available2016-05-10T20:26:27Zen
dc.date.issued2015-03en_US
dc.identifier.citationYesselman, Joseph D.; Horowitz, Scott; Brooks, Charles L.; Trievel, Raymond C. (2015). "Frequent side chain methyl carbon‐oxygen hydrogen bonding in proteins revealed by computational and stereochemical analysis of neutron structures." Proteins: Structure, Function, and Bioinformatics 83(3): 403-410.en_US
dc.identifier.issn0887-3585en_US
dc.identifier.issn1097-0134en_US
dc.identifier.urihttps://hdl.handle.net/2027.42/110709
dc.description.abstractThe propensity of backbone Cα atoms to engage in carbon‐oxygen (CH···O) hydrogen bonding is well‐appreciated in protein structure, but side chain CH···O hydrogen bonding remains largely uncharacterized. The extent to which side chain methyl groups in proteins participate in CH···O hydrogen bonding is examined through a survey of neutron crystal structures, quantum chemistry calculations, and molecular dynamics simulations. Using these approaches, methyl groups were observed to form stabilizing CH···O hydrogen bonds within protein structure that are maintained through protein dynamics and participate in correlated motion. Collectively, these findings illustrate that side chain methyl CH···O hydrogen bonding contributes to the energetics of protein structure and folding. Proteins 2015; 83:403–410. © 2014 Wiley Periodicals, Inc.en_US
dc.publisherOxford University Pressen_US
dc.publisherWiley Periodicals, Inc.en_US
dc.subject.otherhydrogen bonden_US
dc.subject.otherneutron structureen_US
dc.subject.othermolecular dynamicsen_US
dc.subject.otherquantum mechanicsen_US
dc.subject.otherCH···Oen_US
dc.subject.otherCH···Oen_US
dc.subject.otherCHOen_US
dc.subject.otherCH···O CH···Oen_US
dc.titleFrequent side chain methyl carbon‐oxygen hydrogen bonding in proteins revealed by computational and stereochemical analysis of neutron structuresen_US
dc.typeArticleen_US
dc.rights.robotsIndexNoFollowen_US
dc.subject.hlbsecondlevelBiological Chemistryen_US
dc.subject.hlbtoplevelScienceen_US
dc.description.peerreviewedPeer Revieweden_US
dc.description.bitstreamurlhttp://deepblue.lib.umich.edu/bitstream/2027.42/110709/1/prot24724-sup-0001-suppinfo01.pdf
dc.description.bitstreamurlhttp://deepblue.lib.umich.edu/bitstream/2027.42/110709/2/prot24724.pdf
dc.identifier.doi10.1002/prot.24724en_US
dc.identifier.sourceProteins: Structure, Function, and Bioinformaticsen_US
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dc.owningcollnameInterdisciplinary and Peer-Reviewed


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