Bernhard Reuter | Universität Tübingen

Dr. Bernhard Reuter

Guest Researcher
Computational Molecular Design
Dept. of Numerical Mathematics
Zuse Institute Berlin (ZIB)
Takustrasse 7, 14195 Berlin, Germany

Doctorate (Dr. rer. nat.) in Theoretical Physics, University of Kassel, Germany, 2018.
Thesis: Generalisierte Markov-Modellierung von Nichtgleichgewichtssystemen: Simulation und Modellierung der Amyloid-β-(1-40)-Konformationsdynamik unter Mikrowelleneinfluss
Grade: summa cum laude (with highest honor)
Diploma in Physics (Dipl.-Phys.), University of Kassel, Germany, 2013.
Thesis: Faltung kleiner Lennard-Jones-Proteine unter dem Einfluss von Temperaturgradienten in einem reduzierten Modell
Grade: very good

Statistical Machine Learning
Bioinformatics
Medical Informatics
Computational Biology
Molecular Dynamics
Markov Modeling
in particular:
- Development of methods and tools to predict drug-resistance profiles from whole genome sequencing (WGS) data to enable clinicians to conduct individualized therapy regimens for multidrug resistant tuberculosis (MDR-TB) patients.
- Simulation and modeling of bio-molecular non-equilibrium systems.
- Development of data-based methods (i.e., the Generalized Perron Cluster Cluster Analysis (G-PCCA)) to model bio-molecular non-equilibrium processes.

Summer 2020
- Lecture: Bioinformatics for Life Scientists (with Nico Pfeifer)
  Further information on ILIAS.

Bernhard Reuter: Generalisierte Markov-Modellierung - Modellierung irreversibler β-Amyloid-Peptid-Dynamik unter Mikrowelleneinfluss. Springer Spektrum, Wiesbaden, 2020; https://doi.org/10.1007/978-3-658-29712-1
Bernhard Reuter, Marcus Weber, Konstantin Fackeldey: Generalized Markov modeling of nonreversible molecular kinetics. Invited paper on the special topic of Markov Models of Molecular Kinetics in The Journal of Chemical Physics, 150, 174103 (2019); https://doi.org/10.1063/1.5064530
Bernhard Reuter, Marcus Weber, Konstantin Fackeldey, Susanna Röblitz, Martin E. Garcia: Generalized Markov State Modeling Method for Nonequilibrium Biomolecular Dynamics: Exemplified on Amyloid β Conformational Dynamics Driven by an Oscillating Electric Field. Journal of Chemical Theory and Computation, 14(7), 3579–3594 (2018); https://doi.org/10.1021/acs.jctc.8b00079

Bernhard Reuter, Konstantin Fackeldey, Susanna Röblitz, Marcus Weber, Martin E. Garcia: G-PCCA - a generalized Markov state modeling approach for both equilibrium and non-equilibrium systems. Talk, DPG spring meeting, Berlin, 2018; https://www.researchgate.net/publication/328147408_G-PCCA_-_a_generalized_Markov_state_modeling_approach_for_both_equilibrium_and_non-equilibrium_systems
Bernhard Reuter, Marcus Weber, Martin E. Garcia: Unraveling the effects of an oscillating electric field on Amyloid-β (1-40) conformational dynamics using G-PCCA, a generalized Markov state modeling method. Poster, DPG spring meeting, Berlin, 2018; https://www.researchgate.net/publication/328147020_Unraveling_the_effects_of_an_oscillating_electric_field_on_Amyloid-_b_1-40_conformational_dynamics_using_G-PCCA_a_generalized_Markov_state_modeling_method
Bernhard Reuter, Martin E. Garcia: Influence of microwaves on protein conformational dynamics. Poster, Gordon Research Conference: Protein Folding Dynamics, Galveston (USA), 2016; https://www.researchgate.net/publication/328146799_Influence_of_microwaves_on_protein_conformational_dynamics
Bernhard Reuter, Pedro A. Ojeda May, Martin E. Garcia: Protein folding: Driving forces and external influences. Poster, Gordon Research Conference: Protein Folding Dynamics, Galveston (USA), 2014; https://www.researchgate.net/publication/328147015_Protein_folding_Driving_forces_and_external_influences

gpcca - A Generalized Perron Cluster Cluster Analysis (G-PCCA) MATLAB program to coarse-grain reversible AND non-reversible Markov state models: https://github.com/msmdev/gpcca