News | Dept. Gräter

Chondroitin sulfate A (CSA) is a sugar involved in a plethora of biological processes and pathologies. Here, Greicius and coworkers tackled the complexity of this biopolymer, by developing a model of it for coarse-grained molecular dynamics simulations. Read more here! more

Last week the AK Gräter went on their yearly retreat in a house nearby Heilbronn. See more here! more

Heartfelt congratulations to Eric Hartmann on defending his PhD thesis! more

How Machine Learning helps to build new protein more

We proudly present our new and updated biomolecular reaction emulator KIMMDY (Kinetic Monte Carlo / Molecular Dynamics), now on bioRxiv! Do you want to emulate large reactive systems, up to the second timescale? Read more here! more

Last Thursday, the BMM group came together to celebrate their first Seminar Day at the MPIP in Mainz. more

Wondering how to predict protein flexibility in only a second? No time to run MD simulations but want to go beyond pLDDT? Check out BBFlow! more

In collaboration with the experimental group of Professor Andreas Herrmann from Aachen, we redirected the previously unspecific fragmentation of DNA to dedicated weak points. more

Twelve female Max Planck scientists have been appointed from January 2024 to 2025. Their research focuses are as diverse as their scientific biographies more

With GRAPPA, we present our machine-learned Molecular Dynamics Force Field, which is capable of predicting force-field parameters for a wide range of molecules. more