Intercalative conformations of the 14R(+)- and 14S(-)- trans-anti-DB[a,l]P- N6-dA adducts: Molecular modeling and MD simulations

Chemical Research in Toxicology

Volumn 24, Issue 4, 2011, Pages 522-531

  Cai, Yuqin ^a   Ding, Shuang ^a   Geacintov, Nicholas E ^a   Broyde, Suse ^a  

^a NEW YORK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADENINE; AROMATIC COMPOUND; BENZO[A]PYRENE; CARCINOGEN; DIBENZO[A,L]PYRENE; DOUBLE STRANDED DNA; EPOXIDE; NUCLEOTIDE; POLYCYCLIC AROMATIC COMPOUND; POLYCYCLIC AROMATIC HYDROCARBON;

ABSORPTION SPECTROPHOTOMETRY; ARTICLE; BASE PAIRING; CARCINOGENICITY; CHEMICAL STRUCTURE; CONFORMATION; DNA ADDUCT; HYDROGEN BOND; INTERCALATION COMPLEX; MOLECULAR DYNAMICS; MOLECULAR MODEL; STEREOCHEMISTRY; STEREOISOMERISM; THERMODYNAMICS;

BENZO(A)PYRENE; DNA; DNA ADDUCTS; HYDROGEN BONDING; INTERCALATING AGENTS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; STEREOISOMERISM;

EID: 79954487422     PISSN: 0893228X     EISSN: 15205010     Source Type: Journal    
DOI: 10.1021/tx1004002     Document Type: Article

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