Publications

Stefan Kesselheim. Simulations of DNA Translocation through Nanopores. 2014. [PUMA: sfb716 sfb716-c vis(us) visus:kesselsn from:mueller sfb716-c5 2014] URL

Matthias Bohner. Using umbrella integration to find minimum free energy paths. 2014. [PUMA: sfb716 sfb716-c vis(us) from:mueller visus:bohnerms 2014 sfb716-c6]

F.C. Maier, Ganesh Sivaraman, and 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: visus:sivaragh sfb716 visus:fytama sfb716-c vis(us) from:mueller 2014 sfb716-c9]

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

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

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

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

F.C. Maier, and Maria Fyta. Type-dependent identification of DNA nucleobases using diamondoids. ChemPhysChem, 2014. [PUMA: sfb716 visus:fytama sfb716-c vis(us) from:mueller 2014 sfb716-c9] URL

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

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

Michael Lahnert, Carsten Burstedde, Christian Holm, Miriam Mehl, Georg Rempfer, and 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, and V. (Hrsg) Plevris (Eds.), ECCOMAS Congress 2016, VII European Congress on Computational Methods in Applied Sciences and Engineering., (2016)32016. [PUMA: visus:mehlmm visus:holmcn sfb716-c visus:lahnerml sfb716-d visus:rempfegg sfb716-d8 sfb716-c5 visus:weikfn sfb716 vis(us) from:mueller 2016]

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

Georg Rempfer, Gary B. Davies, Christian Holm, and Joost de Graaf. Reducing spurious flow in simulations of electrokinetic phenomena. J. Chem. Phys., (145)449012016. [PUMA: visus:holmcn sfb716 sfb716-c vis(us) from:mueller visus:rempfegg sfb716-c5 2016] 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 Kuron, Georg Rempfer, Florian Schornbaum, Martin Bauer, Christian Godenschwager, Christian Holm, and Joost de Graaf. Moving Charged Particles in Lattice Boltzmann-Based Electrokinetics. J. Chem. Phys, 2016. [PUMA: visus:holmcn sfb716 sfb716-c vis(us) from:mueller visus:rempfegg sfb716-c5 2016]

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