Publications

Michael Krone, Guido Reina, Christoph Schulz, Tobias Kulschewski, Jürgen Pleiss, and Thomas Ertl. Interactive extraction and tracking of biomolecular surface features. Comput. Graph. Forum, (32):331-340, 2013. [PUMA: protein sfb716 sfb716-d4 simulation vis(us) visus:ertlts visus:kroneml] URL

Michael Krone, Martin Falk, S. Rehm, Jürgen Pleiss, and Thomas Ertl. Interactive exploration of protein cavities. Comput. Graph. Forum, (30):673-682, 2011. [PUMA: protein sfb716 sfb716-d4 simulation vis(us) visus:ertlts visus:kroneml] URL

Michael Krone, Florian Frieß, Katrin Scharnowski, Guido Reina, Silvia Fademrecht, Tobias Kulschewski, Jürgen Pleiss, and Thomas Ertl. Molecular Surface Maps. IEEE Transactions on Visualization and Computer Graphics, (23):701-710, 2017. [PUMA: chemistry physical sfb716 sfb716-d4 simulation vis(us) visus:ertlts visus:pleissjn] URL

P. Gatti-Lafranconi, A. Natalello, Sascha Rehm, S.M. Doglia, Jürgen Pleiss, and Marina Lotti. Evolution of stability in a cold-active enzyme elicits specificity relaxation and highlights substrate-related effects on temperature adaptation. J Mol Biol, (395):155-166, 2010. [PUMA: chemistry dynamics molecular physical sfb716 sfb716-c1 simulation vis(us) visus:pleissjn] URL

Jürgen Pleiss. Protein design in metabolic engineering and synthetic biology. Curr.Opin.Biotech., (22):1-7, 2011. [PUMA: 2011 chemistry dynamics molecular physical protein sfb716 simulation vis(us) visus:pleissjn] URL

Meike Hutt, Tobias Kulschewski, and Jürgen Pleiss. Molecular modelling of the mass density of single proteins. Journal of Biomolecular Structure and Dynamics, (30):318-327, 2012. [PUMA: 2012 chemistry dynamics molecular physical sfb716 sfb716-c1 simulation vis(us) visus:pleissjn] URL

Tobias Kulschewski, and Jürgen Pleiss. A molecular dynamics study of liquid aliphatic alcohols: simulation of density and self-diffusion coefficient using a modified OPLS force field. Molecular Simulation, (39):754-767, 2013. [PUMA: 2013 chemistry dynamics molecular physical sfb716 sfb716-c1 simulation vis(us) visus:pleissjn] URL

Francesco Sasso, Tobias Kulschewski, Francesco Secundo, Marina Lotti, and Jürgen Pleiss. The effect of thermodynamic properties of solvent mixtures explains the difference between methanol and ethanol in C.antarctica lipase B catalyzed alcoholysis. J Biotechnol, (214):1-8, 2015. [PUMA: 2015 chemistry dynamics enzyme molecular physical sfb716-c sfb716-c1 simulation vis(us) visus:kulschts visus:pleissjn] URL

Katrin Scharnowski, Michael Krone, Guido Reina, Tobias Kulschewski, Jürgen Pleiss, and Thomas Ertl. Comparative Visualization of Molecular Surfaces Using Deformable Models.. Comput. Graph. Forum, (3):191-200, 2014. [PUMA: 2014 chemistry molecular physical sfb716 sfb716-c1 simulation vis(us) visualization visus:pleissjn] URL

Tobias Kulschewski, and Jürgen Pleiss. Binding of solvent molecules to a protein surface in binary mixtures follows a competitive Langmuir model. Langmuir, (32):8960-8968, 2016. [PUMA: chemistry dynamics molecular physical protein sfb716 sfb716-c1 simulation vis(us) visus:pleissjn] URL