CCPBioSim provides training workshops, both by hosting self-guided online material and by running specific training workshop events.
Here are the workshops that are available online as self-guided workshops.
- Python for Biomolecular Modellers
- Setting up and Running Molecular Dynamics Simulations: Good Practice and Pitfalls
- Analysis of MD Trajectories
- Tackling Protein alchemistry with FESetup and Sire SOMD
- Alchemical Free Energy Simulation Analysis with analyse_freenrg
- Introduction to BioSimSpace
- Visualising Binding Free Energies using Swap-Based Methods
- ISAMBARD: A Python-based API for Biomolecular Structure Analysis and Parametric Design of Protein Structures
- QM/MM Modelling of Enzyme Reactions
- Calculating Water Affinities in Protein Binding Sites with Grand Canonical Monte Carlo and ProtoMS