Software & Data | Dept. Gräter

We have developed a simulation scheme called KIMMDY (Kinetic Monte Carlo / Molecular Dynamics) that enables covalent bond breakages in all-atom Molecular Dynamics (MD) simulations.  [more]

Collagen is the most abundant protein of our body, and yet, we know surprisingly little about its atomistic structure. [more]

Force distribution analysis (FDA) is a method to detect and follow force and stress propagation in proteins, reminiscent of Finite Element Analysis used to engineer macroscopic structures. [more]