Name: HITS gGmbH – Molecular Biomechanics (MBM)
Type: Organization
Bio: The Molecular Biomechanics group, headed by Dr. Frauke Gräter, makes use and further develops various computational and theoretical techniques.
Location: Heidelberg, Germany
Blog: https://www.h-its.org/en/research/mbm/
HITS gGmbH – Molecular Biomechanics (MBM)'s Projects
Simulation code of a super coarse grained collagen model, that is breakable under force.
Analysis of contacts in molecular dynamics trajectories
Older Force Distribution Analysis for GROMACS versions
A development version of GROMACS with extra feature branches by Molecular Biomechanics (MBM) group at HITS.
Compiled GROMACS documentation
Force Distribution Analysis (FDA) for GROMACS
VMD plugins to visualize pairwise forces and atomic stress
Various guides about our tools
Graph NN models for predicting HAT energy barriers
HITS MBM GitHub page
Isopeptide bonds forcefield files
reactive MD python pipeline for GROMACS using Kinetic Monte Carlo / Molecular Dynamics (KIMMDY)
Redox potential of a protein disuflide bond