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

Chemistry

• Molecular Dynamics 100%
• Aromatic Structure 100%
• Molecular Modeling 100%
• NMR Spectroscopy 66%
• Structure 66%
• Cyclic Structure 66%
• Adenine 66%
• Benzo[a]pyrene 66%
• Solution Structure 66%
• Polycyclic Aromatic Hydrocarbons 33%
• Deoxyribonucleic Acid 33%
• Pair-Base 33%
• Double-Stranded DNA 33%
• Epoxide 33%
• Hydrogen Bonding 33%
• Fluorescence Quenching 33%
• Diol 33%
• dibenzo[a,l]pyrene 33%
• Benzo[c]phenanthrene 33%
• UV Absorption 33%

Pharmacology, Toxicology and Pharmaceutical Science

• Adenine 100%
• Benzo(a)pyrene 100%
• Carcinogenicity 50%
• Base 50%
• Carcinogen 50%
• Epoxide 50%
• Polycyclic Aromatic Hydrocarbon 50%
• Double Stranded DNA 50%
• dibenzo[a,l]pyrene 50%
• Phenanthrene 50%

Keyphrases

• Hydrocarbon Types 25%
• UV Absorption Property 25%
• Topological Variations 25%