Computational Biochemistry Group
- 19 followers
- Forschungszentrum Jülich, Germany
- http://www.strodel.info/
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Repositories
- MD-Analyses-Scripts Public
This repository is meant to collect various smaller molecular dynamics scripts used by the strodel group.
- OLIGAMIX Public
OLIGAMIX: A lightweight and extensible analysis tool for tracking oligomerization states and inter-chain contact networks from molecular dynamics (MD) simulations.
- DRIDmetric Public Forked from MoSchaeffler/DRIDmetric
Python class to calculate the firs three moments of the Distribution of Reciprocal Interatomic Distances (DRID) for a given Molecular Dynamics trajectory. This can be used as structure preserving dimensionality reduction method for subsequent clustering.
- freeEnergyCalculation Public Forked from MoSchaeffler/freeEnergyCalculation
Python project to calculate the free energy landscape from a Transition Matrix. Primarily developed to get the free energy landscape explored during a Molecular Dynmaics Simulation.
- ATRANET Public
- AMBER99SB-UCB Public
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