Publications

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)12017. [PUMA: 2017 biovis from:mueller sfb716-c1 sfb716-d3 sfb716-d4-ertl sfb716-d4-pleiss sfbtrr161 vis(us) vis-ertl vis-gis visus visus:ertl visus:friessfn visus:kroneml visus:pleissjn visus:reina visus:scharnkn] URL

Tobias Kulschewski, and Jürgen Pleiss. Binding of solvent molecules to a protein surface in binary mixtures follows a competitive Langmuir model. Langmuir, 322016. [PUMA: sfb716 sfb716-c1 sfb716-c visus:pleissjn visus:kulschts vis(us) from:mueller 2016] 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 (Proceedings of the Scientific Visualization 2016), (23)12017. [PUMA: 2017 biovis from:mueller sfb716-c1 sfb716-d3 sfb716-d4 sfb716-d4-ertl sfb716-d4-pleiss sfbtrr161 vis(us) vis-ertl vis-gis visus visus:ertl visus:friessfn visus:kroneml visus:pleissjn visus:reina visus:scharnkn] URL

Jürgen Pleiss. Systematic analysis of large enzyme families: identification of specificity- and selectivity-determining hotspots. ChemCatChem, (6)2014. [PUMA: sfb716 sfb716-c1 sfb716-c visus:pleissjn vis(us) from:mueller 2014] 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. Biotechnol J, (10)2014. [PUMA: sfb716 sfb716-c1 sfb716-c visus:pleissjn vis(us) from:mueller 2014] URL

Aaron Taudt, Axel Arnold, and Jürgen Pleiss. Simulation of protein association - Kinetic pathways towards crystal contacts. Phys Rev E, (2015)912015. [PUMA: visus:arnoldal sfb716 sfb716-c1 sfb716-c visus:pleissjn vis(us) 2015 from:mueller] 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, (2015)2142015. [PUMA: sfb716 sfb716-c1 sfb716-c visus:pleissjn visus:kulschts vis(us) 2015 from:mueller] URL

Catharina Zeil, Michael Widmann, Silvia Fademrecht, Constantin Vogel, and Jürgen Pleiss. Microdiversity of TEM β-lactamases: a network analysis of sequence-function relationships and exploration of sequence space. Antimicrob Agents Ch, (2016)602016. [PUMA: 2016 from:mueller sfb716 sfb716-c sfb716-c1 visus:pleissjn] URL

Tobias Kulschewski, Francesco Sasso, Francesco Secundo, Marina Lotti, and Jürgen Pleiss. Effect of organic solvent and water to the catalytic activity of C.antarctica lipase B. Poster session during the CECAM workshop "Biological molecules under non-natural conditions", Stuttgart, 2014. [PUMA: sfb716 sfb716-c1 sfb716-c visus:pleissjn visus:kulschts vis(us) from:mueller 2014]

Tobias Kulschewski, Francesco Sasso, Francesco Secundo, Marina Lotti, and Jürgen Pleiss. The Effect of organic solvent and water to the catalytic acticity of C.antarctica lipase B. Poster session during the Protein Engineering conference, Chester, 2013. [PUMA: sfb716 sfb716-c1 sfb716-c visus:pleissjn visus:kulschts vis(us) from:mueller 2013]

Tobias Kulschewski, and Jürgen Pleiss. Simulation of Proteins in organic solvents. Poster session during the DECHEMA Thermodynamik Kolloquium, Potsdam, 2012. [PUMA: sfb716-c1 sfb716-c visus:pleissjn visus:kulschts vis(us) from:mueller 2012]

Katrin Scharnowski, Michael Krone, Guido Reina, Tobias Kulschewski, Jürgen Pleiss, and Thomas Ertl. Comparative Visualization of Molecular Surfaces Using Deformable Models. Computer Graphics Forum, (33)32014. [PUMA: visus:scharnkn visus vis-ertl sfb716-d4-ertl visus:reina sfb716-c1 visus:pleissjn sfb716-d3 visus:kroneml visus:kulschts vis(us) visus:ertl from:mueller 2014 vis-gis biovis] URL

Jürgen Pleiss. Rational design of enzymes. In Drauz K, Gröger H, and May O (Eds.), Enzyme catalysis in organic synthesis, Wiley-VCH, 2012. [PUMA: sfb716 sfb716-c1 sfb716-c visus:pleissjn vis(us) from:mueller 2012]

Tobias Kulschewski, and Jürgen Pleiss. Simulation of enzymes in organic solvents. In Lutz S, and Bornscheuer UT (Eds.), Protein Engineering Handbook, Wiley-VCH., 2012. [PUMA: sfb716 sfb716-c1 sfb716-c visus:pleissjn visus:kulschts vis(us) from:mueller 2012]

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)42013. [PUMA: sfb716 sfb716-c1 sfb716-c visus:pleissjn visus:kulschts vis(us) from:mueller 2013] 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)92013. [PUMA: sfb716 sfb716-c1 sfb716-c visus:pleissjn visus:kulschts vis(us) from:mueller 2013] URL

Michael Krone, Guido Reina, Christoph Schulz, Tobias Kulschewski, Jürgen Pleiss, and Thomas Ertl. Interactive Extraction and Tracking of Biomolecular Surfaces Features. Computer Graphics Forum, (32)32013. [PUMA: visus vis-ertl sfb716-d4-ertl visus:reina sfb716-c1 visus:pleissjn sfb716-d3 visus:kroneml visus:schulzch visus:kulschts vis(us) visus:ertl from:mueller 2013 vis-gis] URL

Meike Hutt, Tobias Kulschewski, and Jürgen Pleiss. Molecular modelling of the mass density of single proteins. Journal of Biomolecular Structure and Dynamics, (30)32012. [PUMA: sfb716 sfb716-c1 sfb716-c visus:pleissjn visus:kulschts vis(us) from:mueller 2012] URL

Tobias Kulschewski, A. Lehmann, Sascha Rehm, and Jürgen Pleiss. Modelling of lipases in organic solvents. Poster session during European Symposium of the Protein Society, Stockholm, 2011. [PUMA: visus:rehmsa sfb716-c1 visus:pleissjn visus:kulschts vis(us) 2011 from:mueller]

Tobias Kulschewski, C.C. Gruber, and Jürgen Pleiss. Simulation of C.antarctica lipase B in hydrophobic environments: the critical role of water. Poster session during International conference Biotrans, Messina, 2011. [PUMA: sfb716-c1 visus:pleissjn visus:kulschts vis(us) 2011 from:mueller]