Quantum mechanics/molecular mechanics investigation of the chemical reaction in Dpo4 reveals water-dependent pathways and requirements for active site reorganization

Journal of the American Chemical Society

Volumn 130, Issue 40, 2008, Pages 13240-13250

  Wang, Yanli ^a   Schlick, Tamar ^a  

^a NEW YORK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ABS RESINS; CHEMICAL REACTIONS; CHEMISTRY; DNA; GENES; MECHANICS; MOLECULAR MECHANICS; NEWTONIAN FLOW; NUCLEIC ACIDS; ORGANIC ACIDS; OZONE WATER TREATMENT; POWDERS; SYNTHESIS (CHEMICAL);

8-OXOGUANINE; ACTIVE SITES; CONFORMATIONAL TRANSITIONS; DNA POLYMERASES; DNA SYNTHESIS; ENZYME MECHANISMS; POTENTIAL ENERGY BARRIERS; REACTION PATHS; REACTION PATHWAYS; SULFOLOBUS SOLFATARICUS; TRANSFER REACTIONS; WATER MOLECULES;

CRYSTAL CHEMISTRY;

DNA POLYMERASE; DNA POLYMERASE IV; NUCLEOTIDE; NUCLEOTIDYLTRANSFERASE; OXYGEN; SOLVENT; UNCLASSIFIED DRUG; WATER;

ARTICLE; CHEMICAL BOND; CHEMICAL REACTION; CHEMICAL STRUCTURE; COMPLEX FORMATION; CONFORMATION; CRYSTAL; ENERGY TRANSFER; MOLECULAR MECHANICS; NONHUMAN; PROTON TRANSPORT; QUANTUM MECHANICS; REACTION ANALYSIS; STEADY STATE; SULFOLOBUS SOLFATARICUS;

BIOCATALYSIS; CATALYTIC DOMAIN; COMPUTER SIMULATION; CRYSTALLIZATION; DNA; DNA-DIRECTED DNA POLYMERASE; MODELS, MOLECULAR; OXYGEN; PHOSPHATES; PROTEIN STRUCTURE, TERTIARY; PROTONS; QUANTUM THEORY; SULFOLOBUS SOLFATARICUS; WATER;

EID: 53549094721     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja802215c     Document Type: Article

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