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dc.contributor.authorSkourtis, Spiros S.en
dc.contributor.authorBeratan, David N.en
dc.creatorSkourtis, Spiros S.en
dc.creatorBeratan, David N.en
dc.date.accessioned2019-12-02T15:33:23Z
dc.date.available2019-12-02T15:33:23Z
dc.date.issued1997
dc.identifier.issn1089-5647
dc.identifier.urihttp://gnosis.library.ucy.ac.cy/handle/7/59077
dc.description.abstractAn exact approach is introduced to establish and compare quantitative structure-function relationships in electron transfer proteins. The strategy is based on the idea of an electron transfer contact map and is motivated by reduced descriptions of 3D protein structure that emphasize the folded conformation (ribbon drawings, distance contact maps, and Ramachandran plots). Electron transfer contact maps render the protein-mediated electronic coupling information in a compact and transferable form. The method includes all contributions of multiple interfering tunneling pathways to the tunneling propagation and can be implemented at many levels of electronic structure theory. Contact maps are used to interpret the influence of mutations on electronic propagation in model peptides.en
dc.sourceJournal of Physical Chemistry Ben
dc.source.urihttps://www.scopus.com/inward/record.uri?eid=2-s2.0-0031075543&partnerID=40&md5=4962b3972ae0142714ede47ce0153d43
dc.subjectElectronic structureen
dc.subjectCharge transferen
dc.subjectElectron tunnelingen
dc.subjectProteinsen
dc.subjectConformationsen
dc.subjectMolecular structureen
dc.subjectElectron transfer contact mapsen
dc.subjectMultiple interfering tunneling pathwaysen
dc.titleElectron transfer contact mapsen
dc.typeinfo:eu-repo/semantics/article
dc.description.volume101
dc.description.issue7
dc.description.startingpage1215
dc.description.endingpage1234
dc.author.facultyΣχολή Θετικών και Εφαρμοσμένων Επιστημών / Faculty of Pure and Applied Sciences
dc.author.departmentΤμήμα Φυσικής / Department of Physics
dc.type.uhtypeArticleen
dc.description.notes<p>Cited By :49</p>en
dc.source.abbreviationJ Phys Chem Ben
dc.contributor.orcidSkourtis, Spiros S. [0000-0002-5834-248X]
dc.gnosis.orcid0000-0002-5834-248X


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