A QM/MM investigation of thymine dimer radical anion splitting catalyzed by DNA photolyase

ChemPhysChem

Volumn 10, Issue 2, 2009, Pages 400-410

  Masson, Fanny ^a   Laino, Teodoro ^a   Rothlisberger, Ursula ^b   Hutter, Jürg ^a  

^a UNIVERSITY OF ZURICH   (Switzerland)

^b EPFL   (Switzerland)

Author keywords

Density functional calculations; DNA damage; Molecular dynamics; Photolyase; Thymine dimer

Indexed keywords

BIOINFORMATICS; DENSITY FUNCTIONAL THEORY; DNA; ENZYMES; HYDROGEN BONDS; IONS; MOLECULAR DYNAMICS; MOLECULAR MODELING; QUANTUM THEORY; REACTION KINETICS; REPAIR;

CYCLOBUTANE PYRIMIDINE DIMERS; CYCLOBUTANE RING; DNA DAMAGES; DYNAMICS SIMULATION; PHOTOLYASES; QUANTUM MECHANICAL/MOLECULAR MECHANICAL; REPAIR EFFICIENCIES; THYMINE DIMERS;

DIMERS;

EID: 59449096533     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.200800624     Document Type: Article

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