Publications

Georg Rempfer, Sascha Ehrhardt, Christian Holm, und Joost de Graaf. Nanoparticle Translocation through Conical Nanopores: A Finite Element Study of Electrokinetic Transport. Macromolecular Theory and Simulations, (25)2016. [PUMA: visus:rempfegg sfb716 2016 visus:holmcn sfb716-c sfb716-c5] URL

Michael Kuron, Georg Rempfer, Florian Schornbaum, Martin Bauer, Christian Godenschwager, Christian Holm, und Joost de Graaf. Moving Charged Particles in Lattice Boltzmann-Based Electrokinetics. J. Chem. Phys, 2016. [PUMA: visus:rempfegg sfb716 2016 visus:holmcn sfb716-c sfb716-c5]

Tobias Kulschewski, und Jürgen Pleiss. Binding of solvent molecules to a protein surface in binary mixtures follows a competitive Langmuir model. Langmuir, 322016. [PUMA: sfb716-c1 sfb716 2016 visus:pleissjn sfb716-c visus:kulschts] URL

Georg Rempfer, Gary B. Davies, Christian Holm, und Joost de Graaf. Reducing spurious flow in simulations of electrokinetic phenomena. J. Chem. Phys., (145)449012016. [PUMA: visus:rempfegg sfb716 2016 visus:holmcn sfb716-c sfb716-c5] URL

Georg Rempfer, Sascha Ehrhardt, Nadanai Laohakunakorn, Gary B. Davies, Ulrich F. Keyser, Christian Holm, und Joost de Graaf. Selective Trapping of DNA Using Glass Microcapillaries. Langmuir, (32)332016. [PUMA: visus:rempfegg sfb716 2016 visus:holmcn sfb716-c sfb716-c5] URL

Michael Lahnert, Carsten Burstedde, Christian Holm, Miriam Mehl, Georg Rempfer, und Florian Weik. Towards Lattice-Boltzmann on Dynamically Adaptive Grids - Minimally-Invasive Grid Exchange in ESPResSo. In M. (Hrsg) Papadrakakis, V. (Hrsg) Papadopoulos, G. (Hrsg) Stefanou, und V. (Hrsg) Plevris (Hrsg.), ECCOMAS Congress 2016, VII European Congress on Computational Methods in Applied Sciences and Engineering., (2016)32016. [PUMA: sfb716 visus:holmcn visus:weikfn sfb716-d8 sfb716-c5 visus:rempfegg visus:mehlmm 2016 sfb716-d sfb716-c visus:lahnerml]

Francesco Sasso, Tobias Kulschewski, Francesco Secundo, Marina Lotti, und 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-c1 sfb716 2015 visus:pleissjn sfb716-c visus:kulschts] URL

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

Marina Lotti, Jürgen Pleiss, Francisco Valero, und Pau Ferrer. Effects of methanol on lipases: molecular, kinetic and process issues in the production of biodiesel. Biotechnol J, (10)2014. [PUMA: sfb716-c1 sfb716 2014 visus:pleissjn sfb716-c] URL

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

Catharina Zeil, Michael Widmann, Silvia Fademrecht, Constantin Vogel, und 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: sfb716-c1 sfb716 2016 visus:pleissjn sfb716-c] URL

Ganesh Sivaraman, Rodrigo G. Amorim, Ralph H. Scheicher, und Maria Fyta. Diamondoid-functionalized gold nanogaps as sensors for natural, mutated, and epigenetically modified DNA nucleotides. Nanoscale, 2016. [PUMA: sfb716 visus:sivaragh 2016 sfb716-c sfb716-c9 visus:fytama] URL

F.C. Maier, und Maria Fyta. Type-dependent identification of DNA nucleobases using diamondoids. ChemPhysChem, 2014. [PUMA: sfb716 2014 sfb716-c sfb716-c9 visus:fytama] URL

Ganesh Sivaraman, und Maria Fyta. Diamondoids as DNA methylation and mutation probes. Europhysics Letters, (108)170052014. [PUMA: sfb716 visus:sivaragh 2014 sfb716-c sfb716-c9 visus:fytama]

Maria Fyta. Threading DNA through nanopores for biosensing applications. J. Phys.: Cond. Matter, (27)2731012015. [PUMA: sfb716 2015 sfb716-c sfb716-c9 visus:fytama]

Ganesh Sivaraman, und Maria Fyta. Derivatives of small diamondoids as biosensors for DNA nucleobases. Nanoscale, (6)42252014. [PUMA: sfb716 visus:sivaragh 2014 sfb716-c sfb716-c9 visus:fytama]

Johannes Kästner, und Subhendu Roy. Synergistic Substrate and Oxygen Activation in Salicylate Dioxygenase Revealed by QM/MM Simulations. Angewandte Chemie International Edition, (55)32016. [PUMA: visus:roysu sfb716 2016 sfb716-c visus:kaestnjs sfb716-c6] URL

F.C. Maier, Ganesh Sivaraman, und Maria Fyta. The role of a diamondoid as a hydrogen donor or acceptor in probing DNA nucleobases. European Physical Journal E 37, (95)2014. [PUMA: sfb716 visus:sivaragh 2014 sfb716-c sfb716-c9 visus:fytama]

Bibek Adhikari, und Maria Fyta. Towards double-functionalized small diamondoids: selective electronic band-gap tuning. Nanotechnology, (26)357012015. [PUMA: visus:adhikabk sfb716 2015 sfb716-c sfb716-c9 visus:fytama]

Stefan Kesselheim. Simulations of DNA Translocation through Nanopores. 2014. [PUMA: sfb716 2014 visus:kesselsn sfb716-c sfb716-c5] URL