Staff Dr. Astrid Maaß

Address:
Fraunhofer-Institut für Algorithmen und Wissenschaftliches Rechnen SCAI
Friedrich-Hirzebruch-Allee 7
53115 Bonn
Phone: +49 228 73-69770
Office: FHA7 2.010
E-Mail: ed tod refohnuarf tod iacs ta ssaam tod dirtsaa tod b@foo tod de

Affiliated to Fraunhofer SCAI

Publications

  1. Rapid prescreening of organic compounds for redox flow batteries: a graph convolutional network for predicting reaction enthalpies from smiles. L.-S. Berg, J. Hamaekers, J. Barker, and A. Maass. Batteries & Supercaps, 2021. BibTeX
  2. Insights into the folding of disulfide-rich µ-conotoxins. A. A. Paul George, P. Heimer, A. Maaß, J. Hamaekers, M. Hofmann-Apitius, A. Biswas, and D. Imhof. ACS Omega, 3(10):12330–12340, 2018. BibTeX DOI
  3. The octet rule in chemical space: generating virtual molecules. R. Israels, A. Maaß, and J. Hamaekers. Molecular diversity, 21(4):769–778, 2017. BibTeX DOI