Publications

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

Sascha Rehm, Peter Trodler, and Jürgen Pleiss. Solvent-induced lid opening in lipases: A molecular dynamics study. Protein Sci., (19):2122-2130, 2010. [PUMA: 2010 chemistry dynamics enzyme molecular physical sfb716 sfb716-c1 vis(us) visus:pleissjn] URL

J. Pleiss. Thermodynamic activity-based interpretation of enzyme kinetics. Trends in Biotechnology, (35):379-382, 2017. [PUMA: 2017 chemistry dynamics molecular physical sfb716 sfb716-c1 thermodynamics 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

Tobias Kulschewski, Francesco Sasso, Francesco Secundo, Marina Lotti, and Jürgen Pleiss. Molecular mechanism of deactivation of C. antarctica lipase B by methanol. Journal of Biotechnology, (168):462-469, 2013. [PUMA: 2013 chemistry dynamics molecular physical sfb716 sfb716-c sfb716-c1 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

Marina Lotti, Jürgen Pleiss, Francisco Valero, and Pau Ferrer. Effects of methanol on lipases: molecular, kinetic and process issues in the production of biodiesel. Biotechnology Journal, (10):22-30, 2014. [PUMA: 2014 chemistry dynamics kinetics lipase molecular physical sfb716 sfb716-c1 simulation vis(us) visus:pleissjn] URL

M. Krone, F. Frieß, K. Scharnowski, G. Reina, S. Fademrecht, T. Kulschewski, J. Pleiss, and T. Ertl. Molecular Surface Maps. IEEE Transactions on Visualization and Computer Graphics (Proceedings of the Scientific Visualization 2016), (23):701-710, 2017. [PUMA: molecular physical sfb716 sfb716-d4 simulation vis(us) visus:ertlts visus:pleissjn] URL