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Daniel Markthaler

Scientific Assistant
Institute of Technical Thermodynamics and Thermal Process Engineering


+49 711 685-66014

Pfaffenwaldring 9
70569 Stuttgart
Room: 0.350

  1. 2019

    1. D. Markthaler, S. Jakobtorweihen, N. Hansen
      Lessons Learned from the Calculation of One-Dimensional Potentials of Mean Force Article v1.0
      2019, Living Journal of Computational Molecular Science 1(1)
  2. 2018

    1. D. Markthaler, H. Kraus, N. Hansen
      Overcoming Convergence Issues in Free-Energy Calculations of Amide-to-Ester Mutations in the Pin1-WW Domain,
      Journal of Chemical Information and Modeling 58(11), 2305--2318
    2. J. Baz, J. Gebhardt, H. Kraus, D. Markthaler, N. Hansen
      Insights into Noncovalent Binding Obtained from Molecular Dynamics Simulations,
      CHEMIE INGENIEUR TECHNIK 90(11), 1864–1875
  3. 2017

    1. D. Markthaler, J. Zeman, J. Baz, J. Smiatek, N. Hansen
      Validation of Trimethylamine-N-Oxide (TMAO) Force Fields Based on Thermophysical Properties of Aqueous TMAO Solutions,
      The Journal of Physical Chemistry B 121(47), 10674--10688
    2. D. Markthaler, J. Gebhardt, S. Jakobtorweihen, N. Hansen
      Molecular Simulations of Thermodynamic Properties for the System Alpha-Cyclodextrin/Alcohol in Aqueous Solution,
      CHEMIE INGENIEUR TECHNIK 89(10, SI), 1306–1314
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