Umbrella sampling. Wiley Interdisciplinary Reviews: Computational Molecular Science, (1)2011. [PUMA: 2011 sfb716-c6 visus:kaestnjs] URL
Umbrella Integration with Higher-Order Correction Terms. Journal of Chemical Physics, (136)2012. [PUMA: 2012 sfb716 sfb716-c6 visus:kaestnjs] URL
An algorithm to find minimum free-energy paths using umbrella integration. Journal of Chemical Physics, (137)2012. [PUMA: 2012 sfb716 sfb716-c6 visus:bohnerms visus:kaestnjs] URL
A Quadratically-Converging Nudged Elastic Band Optimizer. Journal of Chemical Theory and Computation, 2013. [PUMA: 2013 sfb716 sfb716-c sfb716-c6 visus:bohnerms visus:kaestnjs] URL
Nudged-elastic band used to find reaction coordinates based on the free energy. J. Chem. Phys., (140)741092014. [PUMA: 2014 sfb716 sfb716-c6 sfb716-d6 visus:arnoldal visus:bohnerms visus:kaestnjs] URL
Using umbrella integration to find minimum free energy paths. 2014. [PUMA: 2014 sfb716 sfb716-c sfb716-c6 visus:bohnerms]
Synergistic Substrate and Oxygen Activation in Salicylate Dioxygenase Revealed by QM/MM Simulations. Angewandte Chemie International Edition, (55)32016. [PUMA: 2016 sfb716 sfb716-c sfb716-c6 visus:kaestnjs visus:roysu] URL
From Visualization Research to Public Presentation - Design and Realization of a Scientific Exhibition. Proceedings of SIGRAD 2017, 2017. [PUMA: 2017 sfb716-c6 sfb716-d3 sfb716-d4 sfb716-d4-ertl sfb716-ö simtech vis(us) vis-ertl vis-gis visus visus:bartheta visus:ertl visus:gralkapk visus:hieronna visus:hlawatml visus:kroneml visus:mueller visus:rauts visus:reina visus:schatzkn]