Towards rational design of cancer therapeutic drugs: a first principles study of the photosensitization mechanism of methylene blue (PHOTOBLUE)

Markus Oppel
University of Vienna (Universität Wien)
Institut für Theoretische Chemie, Institute of Theoretical Chemistry

VSC project / type: 70570 / funded

VSC-2 / status: 2014-08-08 - 2018-02-08 / finished

Publications:

  • Nogueira Juan J., Rassbach Sven, Ochsenfeld Christian, Gonzalez Leticia
    Effect of DNA Environment on Electronically Excited States of Methylene Blue Evaluated by a Three-Layered QM/QM/MM ONIOM Scheme
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION 14, 4298 (2018)

  • Nogueira Juan J., Gonzalez Leticia
    Computational Photophysics in the Presence of an Environment
    ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 69 69, 473 (2018)

  • Nogueira Juan J., Oppel Markus, Gonzalez Leticia
    Enhancing Intersystem Crossing in Phenotiazinium Dyes by Intercalation into DNA
    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 54, 4375 (2015)



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