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Publications

  1. Baz, J ; Held, C ; Pleiss, Jürgen ; Hansen, N: Thermophysical properties of glyceline-water mixtures investigated by molecular modelling. In: Physical Chemistry Chemical Physics, Physical Chemistry Chemical Physics. Bd. 21 (2019), S. 6467–6476
  2. Ferrario, Valerio ; Hansen, Niels ; Pleiss, Jürgen: Interpretation of cytochrome P450 monooxygenase kinetics by modeling of thermodynamic activity. In: Journal of Inorganic Biochemistry, Journal of Inorganic Biochemistry. Bd. 183 (2018)
  3. Ferrario, V. ; Pleiss, J.: Simulation of protein diffusion: a sensitive probe of protein-solvent interactions. In: Journal of Biomolecular Structure and Dynamics, Journal of Biomolecular Structure and Dynamics. (2018)
  4. Krone, Michael ; Frieß, Florian ; Scharnowski, Katrin ; Reina, Guido ; Fademrecht, Silvia ; Kulschewski, Tobias ; Pleiss, Jürgen ; Ertl, Thomas: Molecular Surface Maps. In: IEEE Transactions on Visualization and Computer Graphics (Proceedings of the Scientific Visualization 2016), IEEE Transactions on Visualization and Computer Graphics (Proceedings of the Scientific Visualization 2016). Bd. 23 (2017), Nr. 1
  5. Pleiss, J.: Thermodynamic activity-based interpretation of enzyme kinetics. In: Trends in Biotechnology, Trends in Biotechnology. Bd. 35 (2017a), S. 379–382
  6. Pleiss, Jürgen: Thermodynamic Activity-Based Progress Curve Analysis in Enzyme Kinetics. In: Trends in Biotechnology, Trends in Biotechnology. Bd. 36 (2017b), Nr. 3, S. 234–238
  7. Kulschewski, Tobias ; Pleiss, Jürgen: Binding of solvent molecules to a protein surface in binary mixtures follows a competitive Langmuir model. In: Langmuir, Langmuir. Bd. 32 (2016), S. 8960–8968
  8. Pleiss, Jürgen ; Zeil, Catharina: Reply to „The Curious Case of TEM-116“. In: ANTIMICROBIAL AGENTS AND CHEMOTHERAPY, ANTIMICROBIAL AGENTS AND CHEMOTHERAPY. Bd. 60 (2016), S. 7001–7001
  9. Zeil, Catharina ; Widmann, Michael ; Fademrecht, Silvia ; Vogel, Constantin ; Pleiss, Jürgen: Microdiversity of TEM β-lactamases: a network analysis of sequence-function relationships and exploration of sequence space. In: Antimicrob Agents Ch, Antimicrob Agents Ch. Bd. 60 (2016), S. 2709–2717
  10. Taudt, Aaron ; Arnold, Axel ; Pleiss, Jürgen: Simulation of protein association -  Kinetic pathways towards crystal contacts. In: Phys Rev E, Phys Rev E. Bd. 91 (2015), Nr. 91, S. 033311
  11. Sasso, Francesco ; Kulschewski, Tobias ; Secundo, Francesco ; Lotti, Marina ; Pleiss, Jürgen: The effect of thermodynamic properties of solvent mixtures explains the difference between methanol and ethanol in C.antarctica lipase B catalyzed alcoholysis. In: J Biotechnol, J Biotechnol. Bd. 214 (2015), S. 1–8
  12. Lotti, Marina ; Pleiss, Jürgen ; Valero, Francisco ; Ferrer, Pau: Effects of methanol on lipases: molecular, kinetic and process issues in the production of biodiesel. In: Biotechnology Journal, Biotechnology Journal. Bd. 10 (2014), S. 22–30
  13. Kulschewski, Tobias ; Sasso, Francesco ; Secundo, Francesco ; Lotti, Marina ; Pleiss, Jürgen: Effect of organic solvent and water to the catalytic activity of C.antarctica lipase B. In: Poster session during the CECAM workshop „Biological molecules under non-natural conditions“, Stuttgart, Poster session during the CECAM workshop „Biological molecules under non-natural conditions“, Stuttgart, 2014. — Unrezensiertes Poster
  14. Scharnowski, Katrin ; Krone, Michael ; Reina, Guido ; Kulschewski, Tobias ; Pleiss, Jürgen ; Ertl, Thomas: Comparative Visualization of Molecular Surfaces Using Deformable Models. In: Comput. Graph. Forum, Comput. Graph. Forum. Bd. 3 (2014), S. 191–200
  15. Pleiss, Jürgen: Systematic analysis of large enzyme families: identification of specificity- and selectivity-determining hotspots. In: ChemCatChem, ChemCatChem. Bd. 6 (2014), S. 944–950
  16. Kulschewski, Tobias ; Sasso, Francesco ; Secundo, Francesco ; Lotti, Marina ; Pleiss, Jürgen: Molecular mechanism of deactivation of C. antarctica lipase B by methanol. In: Journal of Biotechnology, Journal of Biotechnology. Bd. 168 (2013a), S. 462–469
  17. Kulschewski, Tobias ; Sasso, Francesco ; Secundo, Francesco ; Lotti, Marina ; Pleiss, Jürgen: The Effect of organic solvent and water to the catalytic acticity of C.antarctica lipase B. In: Poster session during the Protein Engineering conference, Chester, Poster session during the Protein Engineering conference, Chester, 2013b. — Unrezensiertes Poster
  18. Krone, Michael ; Reina, Guido ; Schulz, Christoph ; Kulschewski, Tobias ; Pleiss, Jürgen ; Ertl, Thomas: Interactive Extraction and Tracking of Biomolecular Surfaces Features. In: Computer Graphics Forum, Computer Graphics Forum. Bd. 32 (2013), Nr. 3
  19. Taudt, Aaron: Application of Forward Flux Sampling on Protein Aggregation and Crystal Contact Properties, 2013
  20. Kulschewski, Tobias ; Pleiss, Jürgen: A molecular dynamics study of liquid aliphatic alcohols: simulation of density and self-diffusion coefficient using a modified OPLS force field. In: Molecular Simulation, Molecular Simulation. Bd. 39 (2013), S. 754–767
  21. Kulschewski, Tobias ; Pleiss, Jürgen: Simulation of enzymes in organic solvents. In: S, L. ; UT, B. (Hrsg.) ; S, L. ; UT, B. (Hrsg.): Protein Engineering Handbook, Protein Engineering Handbook. 3. Aufl. : Wiley-VCH., 2012a
  22. Kulschewski, Tobias ; Pleiss, Jürgen: Simulation of Proteins in organic solvents. In: Poster session during the DECHEMA Thermodynamik Kolloquium, Potsdam, Poster session during the DECHEMA Thermodynamik Kolloquium, Potsdam, 2012b. — Unrezensiertes Poster
  23. Hutt, Meike ; Kulschewski, Tobias ; Pleiss, Jürgen: Molecular modelling of the mass density of single proteins. In: Journal of Biomolecular Structure and Dynamics, Journal of Biomolecular Structure and Dynamics. Bd. 30 (2012), S. 318–327
  24. Pleiss, Jürgen: Rational design of enzymes. In: K, D. ; H, G. ; O, M. (Hrsg.) ; K, D. ; H, G. ; O, M. (Hrsg.): Enzyme catalysis in organic synthesis, Enzyme catalysis in organic synthesis : Wiley-VCH, 2012
  25. Kulschewski, Tobias ; Lehmann, A. ; Rehm, Sascha ; Pleiss, Jürgen: Modelling of lipases in organic solvents. In: Poster session during European Symposium of the Protein Society, Stockholm, Poster session during European Symposium of the Protein Society, Stockholm, 2011b. — Unrezensiertes Poster
  26. Kulschewski, Tobias ; Gruber, C.C. ; Pleiss, Jürgen: Simulation of C.antarctica lipase B in hydrophobic environments: the critical role of water. In: Poster session during International conference Biotrans, Messina, Poster session during International conference Biotrans, Messina, 2011a. — Unrezensiertes Poster
  27. Krone, Michael ; Falk, Martin ; Rehm, Sascha ; Pleiss, Jürgen ; Ertl, Thomas: Interactive Exploration of Protein Cavities. In: Computer Graphics Forum, Computer Graphics Forum. Bd. 30 (2011), Nr. 3
  28. Pleiss, Jürgen: Protein design in metabolic engineering and synthetic biology. In: Curr.Opin.Biotech., Curr.Opin.Biotech. Bd. 22 (2011)
  29. Gatti-Lafranconi, P. ; Natalello, A. ; Rehm, Sascha ; Doglia, S.M. ; Pleiss, Jürgen ; Lotti, Marina: Evolution of stability in a cold-active enzyme elicits specificity relaxation and highlights substrate-related effects on temperature adaptation. In: J Mol Biol, J Mol Biol. Bd. 395 (2010), S. 155–166
  30. Rehm, Sascha ; Trodler, Peter ; Pleiss, Jürgen: Solvent-induced lid opening in lipases: A molecular dynamics study. In: Protein Sci., Protein Sci. Bd. 19 (2010), S. 2122–2130
  31. Trodler, Peter ; Schmid, Rolf D. ; Pleiss, Jürgen: Modeling of solvent-dependent conformational transitions in Burkholderia cepacia lipase. In: BMC Structural Biology, BMC Structural Biology. Bd. 9 (2009), Nr. 38
  32. Branco, Ricardo ; Graber, Marianne ; Denis, Vinciane ; Pleiss, Jürgen: Molecular mechanism of the hydration of Candida antarctica lipase B in gas phase: water adsorption isotherms and molecular dynamics simulations. In: ChemBioChem, ChemBioChem. Bd. 10, Medline (2009)