Computational Biomolecular Dynamics
The group studies the relationship between dynamics and function of biological macromolecules at the atomic level using computer simulations. Modern, sophisticated techniques are employed to follow the motions of atoms and molecules at timescales of femtoseconds to microseconds, thereby providing insight into the functional mechanism of e.g. enzymesand transport proteins. The main research focus lies on permeation events in membrane channels like aquaporins or gramicidin, collective and functionally essential modes of motion in enzymes, and the development of novel simulation techniques as an alternative to conventional simulation methods.
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More details about particular projects are provided in the advertisment (job code 24-25)
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Press releases & research news
A research team at the Max Planck Institute (MPI) for Multidisciplinary Sciences has discovered a previously unknown mechanism that allows mechanical signals to travel across proteins. The lever-like principle makes allostery physically tangible and opens new perspectives for drug design and synthetic biology.
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A team led by Bert de Groot has now applied molecular dynamics simulations to visualize how potassium ions pass through a potassium ion channel at atomic resolution for the first time. The simulations could help to better understand how ion channels are regulated or how potential drugs act on them.
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A Göttingen research team has discovered a molecular “spring” that opens ion channels in the sensory hair cells of the ear. Their findings shed new light on our understanding of the sense of hearing and the function of ion channels.
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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.
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The biophysicist at the institute receives about 1.1 million euros funding for the next three years, together with two colleagues. With the grant’s help, the researchers will investigate the physiological effects of ultrasound waves on ion channel signaling.
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