Designing an appropriate computational model for DNA nucleoside hydrolysis: A case study of 2′-Deoxyuridine

Journal of Physical Chemistry B

Volumn 113, Issue 18, 2009, Pages 6533-6542

  Przybylski, Jennifer L ^a   Wetmore, Stacey D ^a  

^a UNIVERSITY OF LETHBRIDGE   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

BIOMOLECULES; DISSOCIATION; HYDROLYSIS; NEGATIVE IONS; NUCLEIC ACIDS; NUCLEOPHILES; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; PROTON TRANSFER; QUANTUM CHEMISTRY; SOLVENTS;

BULK SOLVENTS; CHARGE SEPARATIONS; COMPUTATIONAL MODEL; DEOXYURIDINE; DISSOCIATIVE MECHANISMS; DNA NUCLEOSIDES; ENZYME-CATALYZED REACTIONS; EXPLICIT WATER; GAS-PHASE GEOMETRY; GAS-PHASE STRUCTURES; GASPHASE; GIBBS ENERGY; GLYCOSIDIC BOND; LEAVING GROUPS; NUCLEOPHILIC ATTACK; NUCLEOTIDE HYDROLYSIS; PHASE OPTIMIZATION; POTENTIAL REACTIONS; RATE-LIMITING STEPS; REACTION INTERMEDIATE; REACTION STEPS; REACTION SURFACES; SINGLE-POINT CALCULATIONS; UNCATALYZED HYDROLYSIS; UNIMOLECULAR;

SURFACE REACTIONS;

EID: 66349138235     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp810472q     Document Type: Article

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