Molecular Simulations of Thermodynamic Properties for the System α‐Cyclodextrin/Alcohol in Aqueous Solution*. Chemie Ingenieur Technik, (89)10:1306-1314, August 2017. [PUMA: biomolecular chemistry molecular physical sfb716 sfb716-a9 simulation thermodynamics vis(us) visus:hansenns] URL
Interpretation of cytochrome P450 monooxygenase kinetics by modeling of thermodynamic activity. Journal of Inorganic Biochemistry, (183)2018. [PUMA: 2018 biomolecular chemistry modelling physical sfb716 sfb716-a9 sfb716-c1 simulation vis(us) visus:hansenns]
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]
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