HITS gGmbH – Molecular Biomechanics (MBM)
The Molecular Biomechanics group, headed by Dr. Frauke Gräter, makes use and further develops various computational and theoretical techniques.
Heidelberg, Germany
Pinned Repositories
conan
Analysis of contacts in molecular dynamics trajectories
fda-archive
Older Force Distribution Analysis for GROMACS versions
gromacs-developments
A development version of GROMACS with extra feature branches by Molecular Biomechanics (MBM) group at HITS.
gromacs-fda
Force Distribution Analysis (FDA) for GROMACS
gromacs-fda-vmd
VMD plugins to visualize pairwise forces and atomic stress
guides
Various guides about our tools
HAT_prediction_GNN
Graph NN models for predicting HAT energy barriers
hits-mbm.github.io
HITS MBM GitHub page
isopeptide-bonds
Isopeptide bonds forcefield files
kimmdy
reactive MD python pipeline for GROMACS using Kinetic Monte Carlo / Molecular Dynamics (KIMMDY)
HITS gGmbH – Molecular Biomechanics (MBM)'s Repositories
HITS-MBM/conan
Analysis of contacts in molecular dynamics trajectories
HITS-MBM/gromacs-fda
Force Distribution Analysis (FDA) for GROMACS
HITS-MBM/kimmdy
reactive MD python pipeline for GROMACS using Kinetic Monte Carlo / Molecular Dynamics (KIMMDY)
HITS-MBM/gromacs-fda-vmd
VMD plugins to visualize pairwise forces and atomic stress
HITS-MBM/HAT_prediction_GNN
Graph NN models for predicting HAT energy barriers
HITS-MBM/fda-archive
Older Force Distribution Analysis for GROMACS versions
HITS-MBM/gromacs-developments
A development version of GROMACS with extra feature branches by Molecular Biomechanics (MBM) group at HITS.
HITS-MBM/gromacs-documentation
Compiled GROMACS documentation
HITS-MBM/guides
Various guides about our tools
HITS-MBM/hits-mbm.github.io
HITS MBM GitHub page
HITS-MBM/isopeptide-bonds
Isopeptide bonds forcefield files
HITS-MBM/col_breaker
Simulation code of a super coarse grained collagen model, that is breakable under force.
HITS-MBM/redox-potential
Redox potential of a protein disuflide bond