CCPBioSim
This is the development repository of the Collaborative Computational Project for Biomolecular Simulation
UK
Pinned Repositories
CCP5_Simulation_of_BioMolecules
clustering-workshop
Cluster analysis of MD simulation data using RMSD and PCA methods
CodeEntropy
CodeEntropy-POSEIDON for entropy calculation
fesetup
A tool for setting up free energy simulations.
md-workshop
Workshop that teaches how to set up and analyse molecular dynamics simulations
MDAnalysis_ML_workshop
pca-workshop
python-and-data-workshop
Workshop that goes beyond beginner's python to give Jupyter use, intermediate python and data handling with pandas and matplotlib
qmmm-workshop
Workshop teaching QMMM using Amber
xswaps-workshop
Workshop teaching the basics of ligandswap, waterswap and proteinswap
CCPBioSim's Repositories
CCPBioSim/qmmm-workshop
Workshop teaching QMMM using Amber
CCPBioSim/fesetup
A tool for setting up free energy simulations.
CCPBioSim/MDAnalysis_ML_workshop
CCPBioSim/CCP5_Simulation_of_BioMolecules
CCPBioSim/clustering-workshop
Cluster analysis of MD simulation data using RMSD and PCA methods
CCPBioSim/python-and-data-workshop
Workshop that goes beyond beginner's python to give Jupyter use, intermediate python and data handling with pandas and matplotlib
CCPBioSim/pca-workshop
CCPBioSim/CodeEntropy
CodeEntropy-POSEIDON for entropy calculation
CCPBioSim/docking-workflow
CCPBioSim/basic-analysis-workshop
An introduction to basic interactive analysis of MD data
CCPBioSim/basic-statistics-workshop
CCPBioSim/BioSim-analysis-workshop
Workshop on the preparation, execution, and analysis of protein molecular dynamics simulations
CCPBioSim/BioSimSpace
Code and resources for the EPSRC BioSimSpace project.
CCPBioSim/biosimspace-advanced-simulation
A workshop covering advanced biomolecular simulation methods with BioSimSpace.
CCPBioSim/equilibration-workshop
A workshop to demonstrate approaches to assessing equilibration in MD simulations
CCPBioSim/gcmc-protoms-workshop
Information for workshop as part of CCPBioSim Training Week 2018
CCPBioSim/propka-workshop
CCPBioSim/biosimspace-workshop
Workshop to introduce and teach the BioSimSpace package
CCPBioSim/BSS_FEP_workshop_2022
CCPBioSim/oxDNA_tutorial
CCPBioSim/reduce-propka-workshop
Training workshop for Reduce and PropKa
CCPBioSim/ubiquitin-analysis-workshop
CCPBioSim/bio_saturne-meshingtool
CCPBioSim/chemsh-wrapper4enlighten-plugin
CCPBioSim/codeentropy-workshop
Jupyter notebooks and data files for a CodeEntropy workshop
CCPBioSim/Covid-19
Space for sharing input files, structures and simulation setups.
CCPBioSim/crossflow-workshop
A workshop on building biomolecular simulation workflows with crossflow
CCPBioSim/enlighten-chemshell-wrapper
Protocols and tools to run (automated) atomistic simulations of enzyme-ligand systems
CCPBioSim/nemd-workshop
CCPBioSim/software_workshop