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Publications

  1. Ferrario, Valerio ; Hansen, Niels ; Pleiss, Jürgen: Interpretation of cytochrome P450 monooxygenase kinetics by modeling of thermodynamic activity. In: Journal of Inorganic Biochemistry, Journal of Inorganic Biochemistry. Bd. 183 (2018)
  2. Smiatek, Jens ; Hansen, Niels ; Kastner, Johannes: Free Energy Calculation Methods and Rare Event Sampling Techniques for Biomolecular Simulations. In: Simulating Enzyme Reactivity: Computational Methods in Enzyme Catalysis, Simulating Enzyme Reactivity: Computational Methods in Enzyme Catalysis : The Royal Society of Chemistry, 2017 — ISBN 978-1-78262-429-5, S. 185--214
  3. Markthaler, Daniel ; Zeman, Johannes ; Baz, Jörg ; Smiatek, Jens ; Hansen, Niels: Validation of Trimethylamine-N-oxide (TMAO) Force Fields Based on Thermophysical Properties of Aqueous TMAO Solutions. In: Journal of Physical Chemistry B, Journal of Physical Chemistry B. Bd. 121 (2017), Nr. 47, S. 10674--10688
  4. Hansen, Niels ; Markthaler, Daniel ; Gebhardt, Julia ; Jakobtorweihen, Sven: Molecular Simulations of Thermodynamic Properties for the System α‐Cyclodextrin/Alcohol in Aqueous Solution*. In: Chemie Ingenieur Technik, Chemie Ingenieur Technik. Bd. 89 (2017), Nr. 10, S. 1306–1314