Last week the AK Gräter went on their yearly retreat in a house nearby Heilbronn where we had time and the opportunity to discuss, learn, grow and have fun together.
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!
In collaboration with the experimental group of Professor Andreas Herrmann from Aachen, we redirected the previously unspecific fragmentation of DNA to dedicated weak points.
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.
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!
