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Daniel Markthaler


Scientific Assistant
Institute of Technical Thermodynamics and Thermal Process Engineering


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
      2018, 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
      2018, 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
      2017, 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
      2017, CHEMIE INGENIEUR TECHNIK 89(10, SI), 1306–1314
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