Publications

Daniel Markthaler, Johannes Zeman, Jörg Baz, Jens Smiatek, and Niels Hansen. Validation of Trimethylamine-N-oxide (TMAO) Force Fields Based on Thermophysical Properties of Aqueous TMAO Solutions. Journal of Physical Chemistry B, (121)47:10674--10688, 2017. [PUMA: 2017 biomolecular chemistry physical sfb716 sfb716-a9 sfb716-c8 simulation thermodynamics vis(us) visus:hansenns]

Jens Smiatek, Niels Hansen, and Johannes Kastner. Free Energy Calculation Methods and Rare Event Sampling Techniques for Biomolecular Simulations. Simulating Enzyme Reactivity: Computational Methods in Enzyme Catalysis, 185--214, The Royal Society of Chemistry, 2017. [PUMA: 2017 biomolecular chemistry sfb716 sfb716-a9 sfb716-c8 simulation thermodynamics vis(us) visus:hansenns] URL