Computing Redox Potentials of Type-1 Copper Sites Using Combined Quantum Mechanical/Molecular Mechanical Method

dc.contributor.advisor	Bhattacharyya, Sudeep
dc.contributor.author	Bartholow, Thomas G.
dc.contributor.author	North, Michael A.
dc.date.accessioned	2013-11-18T15:48:47Z
dc.date.available	2013-11-18T15:48:47Z
dc.date.issued	2013-05
dc.description	Color poster with text, diagrams, and tables.	en
dc.description.abstract	Type-1 copper centers belong to the family of metal-containing oxidoreductases, where the redox active moiety is a copper ion bound in a nitrogen-sulfur donor environment. These metallosites, commonly known as blue-copper proteins, act as electron mediators within electron transport chains as the copper shuttles between Cu(I) and Cu(II) states. The purpose of this study was to gain an insight into the role of protein matrix on the redox potentials of the copper center by using combined quantum mechanical/molecular mechanical simulation.	en
dc.description.sponsorship	American Chemical Society; University of Wisconsin--Eau Claire Office of Research and Sponsored Programs.	en
dc.identifier.uri	http://digital.library.wisc.edu/1793/67215
dc.language.iso	en_US	en
dc.relation.ispartofseries	USGZE AS589	en
dc.subject	Oxidoreductases	en
dc.subject	Copper ions	en
dc.subject	Molecular structure--Computer programs	en
dc.subject	Chemical models	en
dc.subject	Posters	en
dc.title	Computing Redox Potentials of Type-1 Copper Sites Using Combined Quantum Mechanical/Molecular Mechanical Method	en
dc.type	Presentation	en

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