First Principles Calculations of the pKa Values and Tautomers of Isoguanine and Xanthine

Chemical Research in Toxicology

Volumn 16, Issue 11, 2003, Pages 1455-1462

  Rogstad, Katherine Noyes ^a   Jang, Yun Hee ^b,c   Sowers, Lawrence C ^a,b   Goddard III, William A ^b  

^a LOMA LINDA UNIVERSITY SCHOOL OF MEDICINE   (United States)

^b CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

^c Seoul National University   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

ANION; DNA POLYMERASE; GUANINE DERIVATIVE; PURINE; XANTHINE;

AQUEOUS SOLUTION; ARTICLE; DEPROTECTION REACTION; DNA DAMAGE; DNA REPLICATION; ENZYME ACTIVATION; ENZYME MECHANISM; GAS; GEOMETRY; HYDROGEN BOND; IONIZATION; ISOMER; MATHEMATICAL COMPUTING; PREDICTION; QUANTUM MECHANICS; QUANTUM THEORY; THERMODYNAMICS;

EID: 0345283275     PISSN: 0893228X     EISSN: None     Source Type: Journal    
DOI: 10.1021/tx034068e     Document Type: Article

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