Projects in winter semester 2025/26
Setting up Molecular Dynamic Simulations to determine Binding sites on MoHik1p
Slots: 1, Hours per week: 4, Completion within: 9 monthsFor students inrolled in: Biology B.Sc., BMC B.Sc., Chemestry B.Sc., Mathematics-Infomatics B.Sc., Molecular Biology B.Sc., Molecular Biotechnology B.Sc., Physics B.Sc.,
Discription
MoHik1p is a protein that is crucial for the mechanism of action of Fludioxonil which is a common fungicide. But its exact mechanism is still unclear and we want to use MD simulations to get deeper insights to the protein - ligand interactions.
Role of the students
Your task will be to set up MD simulations, learn the basic concepts of simulation methods, and interpret the results. The simulations will be performed using the common Gromacs simulation software, while the analysis will be performed in VMD and using Python modules like MDAnalysis.
Qualifications
Basic Python and MD simulation skills are necessary. You will have to use Linux in this project. However, you won't need basic Linux skills since you will learn it through the project.
(more information)
Projects in summer semester 2025
Multi-scale biomolecular simulations - analysis of protein interaction patterns
Slots: 1, Hours per week: 4, Completion within: 9 monthsFor students inrolled in: Applied Physics B.Sc., BMC B.Sc., Chemestry B.Sc., Informatics B.Ed., Informatics B.Sc., Mathematics B.Ed., Mathematics B.Sc., Mathematics-Infomatics B.Sc., Physics B.Ed., Physics B.Sc.,
Discription
In collaboration with our experimental partner at IMB, we study protein granules, a molecular condensate involved in epigenetic inheritance. To study their formation, we use molecular dynamics simulations and analyze protein interaction patterns. These help us investigate the underlying biophysical mechanism.
Role of the students
This QUEST project offers a first perspective on biophysical research on proteins that play a role in epigenetic inheritance. We perform molecular dynamics (MD) simulations on MOGON2, extracting insights by analyzing contact patterns. You can choose your focus to work with us on advancing our Python workflow: (a) pattern analysis through frequent item set mining or simple ML/generative models, (b) performance optimization via benchmarking and test development, or (c) molecular system exploration through sequence mutations.
Qualifications
Curiosity to support protein research through simulations and method development is helpful. You should be interested in collaborating with a PhD student in an interdisciplinary lab. A first experience with Python is helpful or at least you should bring high motivation to develop programming skills. Some interest in gaining experience with High-Performance Computing (HPC) systems is recommended.
(more information)
Creating an analysis framework for Coarse-Grained LLPS-Simulations
Slots: 1, Hours per week: 6, Completion within: 6 monthsFor students inrolled in: Applied Physics B.Sc., BMC B.Sc., Chemestry B.Ed., Chemestry B.Sc., Environmental Sciences with a Focus in Atmosphere and Climate B.Sc., Geography B.Ed., Geography B.Sc., Geosciences B.Sc., Informatics B.Ed., Informatics B.Sc., Mathematics B.Ed., Mathematics B.Sc., Mathematics-Infomatics B.Sc., Meteorology B.Sc., Molecular Biology B.Sc., Molecular Biotechnology B.Sc., Physics B.Ed., Physics B.Sc.,
Discription
Complementary to the work of our experimentalists in biology, we investigate the liquid-liquid phase separation (LLPS) of different proteins using coarse-grained molecular dynamics (MD) simulations. To create a phase diagram, many simulations with varying starting parameters are carried out and evaluated according to the same scheme. Additional features are to be added to the existing framework for this purpose.
Role of the students
The students implement new analysis features and thus gain an insight into research using biophysical simulations, as well as the development of research software using test-driven development.
Qualifications
Basic knowledge of statistical physics, programming and willingness to familiarize yourself with an interdisciplinary field are required. Knowledge of MD simulations, the Julia programming language, good English skills, Git and statistics are advantageous.
(more information)
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