Computational Biochemistry Group
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- Forschungszentrum Jülich, Germany
- http://www.strodel.info/
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- MD-Analyses-Scripts Public
This repository is meant to collect various smaller molecular dynamics scripts used by the strodel group.
strodel-group/MD-Analyses-Scripts’s past year of commit activity - OLIGAMIX Public
OLIGAMIX: A lightweight and extensible analysis tool for tracking oligomerization states and inter-chain contact networks from molecular dynamics (MD) simulations.
strodel-group/OLIGAMIX’s past year of commit activity - 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.
strodel-group/DRIDmetric’s past year of commit activity - 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.
strodel-group/freeEnergyCalculation’s past year of commit activity - ATRANET Public
strodel-group/ATRANET’s past year of commit activity - AMBER99SB-UCB Public
strodel-group/AMBER99SB-UCB’s past year of commit activity
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