hands-on tutorial

Hands-on for 'Setting up molecular systems' tutorial

The questions this addresses are:
- How to get started modelling a protein and a ligand?

The objectives are:
- learn about the Protein Data Bank
- learn how to set up up a model protein and ligand system (with CHARMM-GUI)
- learn how to upload the system to Galaxy

Licence: Creative Commons Attribution 4.0 International

Keywords: computational-chemistry

Target audience: Students

Resource type: hands-on tutorial

Authors: Christopher Barnett, Nadia Goué, Simon Bray

Contributors: Christopher Barnett, Nadia Goué, Simon Bray

Scientific topics: Computational chemistry


Activity log