What singles out the G[8-5]C intrastrand DNA cross-link? Mechanistic and structural insights from quantum mechanics/molecular mechanics simulations

Biochemistry

Volumn 52, Issue 2, 2013, Pages 425-431

  Patel, Chandan ^a   Garrec, Julian ^b   Dupont, Céline ^a   Dumont, Elise ^a  

^a UNIVERSITÉ DE LYON   (France)

^b EPFL   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION FREE ENERGY; CAR-PARRINELLO MOLECULAR DYNAMICS SIMULATIONS; COVALENTLY BONDED; DNA DAMAGES; DODECAMER; GASPHASE; MUTAGENICITY; NATURALLY OCCURRING; STRUCTURAL INSIGHTS; THEORETICAL FRAMEWORK;

DENSITY FUNCTIONAL THEORY; FREE ENERGY; MOLECULAR DYNAMICS; MOLECULAR MODELING;

DNA;

CARBENE; CYTOSINE; DNA; GUANINE;

ARTICLE; CHEMICAL ENVIRONMENT; CHEMOREACTIVITY; CONCEPTUAL FRAMEWORK; CONTROLLED STUDY; COVALENT BOND; CYCLIZATION; DENSITY FUNCTIONAL THEORY; DNA CROSS LINKING; DNA DAMAGE; DNA STRUCTURE; GAS; MOLECULAR DYNAMICS; MUTAGENICITY; PRIORITY JOURNAL; QUANTUM MECHANICS; SIMULATION;

CYTOSINE; DNA; GUANINE; MOLECULAR DYNAMICS SIMULATION; NUCLEIC ACID CONFORMATION; OXIDATION-REDUCTION; THERMODYNAMICS;

EID: 84872506449     PISSN: 00062960     EISSN: 15204995     Source Type: Journal    
DOI: 10.1021/bi301198h     Document Type: Article

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