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Methylation of Zebularine: A Quantum Mechanical Study Incorporating Interactive 3D pdf Graphs

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dc.contributor.authorVasilyev, Vladislav
dc.contributor.authorSelvam, Lalitha
dc.contributor.authorWang, Feng
dc.date.accessioned2015-12-07T22:15:09Z
dc.date.issued2009
dc.date.updated2016-02-24T11:23:44Z
dc.description.abstractMethylation of a cytidine deaminase inhibitor, 1-(β-D-ribofuranosyl)- 2-pyrimidone (i.e., zebularine (zeb)), which produces 1-(β-D-ribofuranosyl) -5-methyl-2-pyrimidinone (d5), has been investigated using density functional theory models. The optimized
dc.identifier.issn1520-6106
dc.identifier.urihttp://hdl.handle.net/1885/17769
dc.publisherAmerican Chemical Society
dc.sourceJournal of Physical Chemistry B
dc.subjectKeywords: Anisotropic property; Australian National University; Base moiety; Binding energy spectra; Computational infrastructure; Condensed Fukui functions; Cytidine deaminase; Density functionals; Inner shell; Optimized structures; PDF document; Portable document
dc.titleMethylation of Zebularine: A Quantum Mechanical Study Incorporating Interactive 3D pdf Graphs
dc.typeJournal article
local.bibliographicCitation.lastpage11504
local.bibliographicCitation.startpage11496
local.contributor.affiliationVasilyev, Vladislav, Administrative Division, ANU
local.contributor.affiliationSelvam, Lalitha, Swinburne University of Technology
local.contributor.affiliationWang, Feng, Swinburne University of Technology
local.contributor.authoruidVasilyev, Vladislav, u4039196
local.description.embargo2037-12-31
local.description.notesImported from ARIES
local.identifier.absfor080106 - Image Processing
local.identifier.absfor030701 - Quantum Chemistry
local.identifier.absfor080103 - Computer Graphics
local.identifier.ariespublicationu4781504xPUB2
local.identifier.citationvolume113
local.identifier.doi10.1021/jp901678g
local.identifier.scopusID2-s2.0-68649099312
local.identifier.thomsonID000268907600019
local.type.statusPublished Version

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