Theoretical and Computational Biophysics

Theoretical and Computational Biophysics

Our research aims at an understanding of the physics and function of proteins, protein complexes, and other biomolecular structures at the atomic level. For this purpose, complex computer simulations of the atomistic dynamics are carried out. Read more about our research projects at our RESEARCH website.

Hünfeld 2025: Workshop on Computer Simulation and Theory of Macromolecules
The registration for the upcoming 2025 workshop is now open! Follow this link to find more information on the workshop itself and the link to the online registration form. more

Open Positions

We are always looking for highly motivated scientists, possessing a strong background in physics, physical chemistry, mathematics and/or biomolecular simulations. If you are interested in driving research projects forward which are conducted at our department  please submit your application documents (including motivation letter, CV, publication list, certificates) preferrably as single PDF file via email to office.theor_comp_biophys@mpinat.mpg.de or follow the instructions in the job announcements.

Open PhD or Postdoc Positions in the Grubmüller Group
... in the field of Theory and Methods for Non-equilibrium Atomistic Simulations of Complex Biomolecules for particular projects in the research team of Helmut Grubmüller more

Our Research Groups


Helmut's scientific writing guidelines

Scientific Writing: The Art of Programming Brains
Struggling with writing your paper draft or thesis? Here’s advice my students found helpful over the years. It’s version 1.0 -- Comments, suggestions, corrections highly appreciated! more

Press releases & research news 

Research Group of Helmut Grubmüller

Helmut Grubmüller elected as member of the Leopoldina

The German National Academy of Sciences Leopoldina honors the biophysicist for his outstanding scientific achievements and the special expertise in his field of research. (in German) more

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Research Group of Bert de Groot

Discovery in Parkinson’s research: Lipids influence the formation of protein clumps

In Parkinson’s patients, alpha-synuclein proteins clump together to form fibrils, which presumably damage nerve cells. A research team has now shown how lipids bind to these fibrils and influence their arrangement. They also demonstrated how the drug candidate anle138b attaches to the lipidic fibrils. The findings could open up new diagnostic and therapeutic approaches. more

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Research Group of Aljaz Godec

Thermodynamic transport inequality: Inferring dissipation from observed transport from single-molecule to bulk observables

Small biological systems are inherently stochastic due to thermal fluctuations. Inferring dissipation, that is, if and how far biological systems (or processes) are driven out of equilibrium, from fluctuating observations, which typically track only a small subset of degrees of freedom, remains a key challenge in modern non-equilibrium physics. more

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