In Silico study of carcinogenic o-Quinone metabolites derived from polycyclic aromatic hydrocarbons (PAHs)

Gabriela L. Borosky, Kenneth K. Laali

Research output: Contribution to journalArticlepeer-review

Original languageEnglish
Pages (from-to)720-728
Number of pages9
JournalJournal of Physical Organic Chemistry
Volume25
Issue number8
DOIs
StatePublished - Aug 2012

ASJC Scopus Subject Areas

  • Physical and Theoretical Chemistry
  • Organic Chemistry

Keywords

  • ONIOM
  • bioactivation pathways
  • molecular docking
  • ortho-Quinones
  • our own n-layer integrated molecular orbital molecular mechanics calculations
  • polycyclic aromatic hydrocarbons

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