Glycosidic bond cleavage in deoxynucleotides: Effects of solvent and the DNA phosphate backbone in the computational model

Journal of Physical Chemistry B

Volumn 116, Issue 49, 2012, Pages 14275-14284

  Lenz, Stefan A P ^a   Kellie, Jennifer L ^a   Wetmore, Stacey D ^a  

^a UNIVERSITY OF LETHBRIDGE   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACID RESIDUES; COMPUTATIONAL MODEL; COMPUTATIONAL WORK; DEGLYCOSYLATION; ENZYME MODELS; ENZYME-CATALYZED REACTIONS; GASPHASE; GLYCOSIDIC BOND CLEAVAGE; HYDROGEN BONDING INTERACTIONS; NUCLEOBASES; OPTIMIZATION ROUTINE; PHOSPHATE BACKBONE; PHOSPHATE GROUP; PROTON ABSTRACTION; REACTION ENERGETICS; REACTION PATHWAYS; SOLVENT EFFECTS; STATIONARY POINTS; SUGAR RESIDUES;

AMINO ACIDS; CATALYSIS; DENSITY FUNCTIONAL THEORY; ENZYMES; GEOMETRY; HYDROGEN BONDS; NUCLEOPHILES; NUCLEOTIDES;

COMPUTATIONAL METHODS;

DNA; GLYCOSIDE; OLIGODEOXYRIBONUCLEOTIDE; PHOSPHATE; SOLVENT;

ARTICLE; CHEMISTRY; QUANTUM THEORY;

DNA; GLYCOSIDES; OLIGODEOXYRIBONUCLEOTIDES; PHOSPHATES; QUANTUM THEORY; SOLVENTS;

EID: 84871017094     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp3096677     Document Type: Article

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