This repository is the place to store and edit the lab handbook for UCL teaching courses that involve the use of open source tools in molecular docking.
Files currently available are shown above, on this "code" tab. The most recent version of the lab manual is there, for download and the manual is also available in full on the wiki as a living document that can be updated by anyone, year on year. If you'd like to suggest edits it's easy to do that by opening an Issue (tab above).
The publication describing the work is now available (Open Access) Molecular Docking with Open Access Software: Development of an Online Laboratory Handbook and Remote Workflow for Chemistry and Pharmacy Master’s Students to Undertake Computer-Aided Drug Design. https://doi.org/10.1021/acs.jchemed.1c00289
We'd love to hear of new docking tools or scoring functions that we could include.