T. Kobayashi, H. Kraus, N. Hansen, and M. Fyta. Dataset, (2021)Related to: Takeshi Kobayashi, Hamzeh Kraus, Niels Hansen and Maria Fyta, Confined Ru-catalysts in a Two-phase Heptane/Ionic Liquid Solution: Modeling Aspects, ChemCatChem 2021, 13, 739-746. doi: 10.1002/cctc.202001596.
I. Kreitmeir, S. Rapp, J. Groß, and E. Kröber. Ausgewählte Ergebnisse zur Qualitätsoptimierung der Lehre an der Universität Stuttgart, Universität Stuttgart, Stuttgart, (2015)
D. Markthaler, and N. Hansen. Dataset, (2021)Related to: D. Markthaler, N. Hansen, Umbrella sampling and double decoupling data for methanol binding to Candida antarctica lipase B. In: Data in Brief (2021), 107618. doi: 10.1016/j.dib.2021.107618.
D. Markthaler, H. Kraus, and N. Hansen. Dataset, (2022)Related to: D. Markthaler, H. Kraus, N. Hansen, Binding free energies for the SAMPL8 CB8 "Drugs of Abuse" challenge from umbrella sampling combined with Hamiltonian replica exchange. In: Journal of Computer-Aided Molecular Design (2022). doi: 10.1007/s10822-021-00439-w.
D. Markthaler, J. Zeman, J. Baz, J. Smiatek, and N. Hansen. The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 121 (47):
10674-10688(2017)
J. Smiatek, N. Hansen, and J. Kästner. Simulating enzyme reactivity : Computational methods in enzyme catalysis, 9, The Royal Society of Chemistry, Cambridge, (2017)