Vasilyev, VladislavSelvam, LalithaWang, Feng2015-12-071520-6106http://hdl.handle.net/1885/17769Methylation 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 optimizedKeywords: 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 document200910.1021/jp901678g2016-02-24