= Attendees =

Tom Goddard, Zach, Greg, Elaine, Tom Ferrin

August 14, 2025

= Agenda =

* TomG, Boltz ligand affinity, Animation examples. [https://www.rbvi.ucsf.edu/chimerax/data/group-meeting-aug2025/progress_aug2025.html Slides]


= Discussion Notes =

* Boltz structure prediction in ChimeraX
 - Demonstrated how to predict HIV protease dimer bound with a set of 50 ligands.
 - Not yet in daily build.
 - Benchmarks by others show ML ligand docking prediction is good for ligands and pockets that are similar to ones in training data (80% success), much worse if novel (20% success).
 - Future Boltz plans include new features (templates, pocket specification, post-translational modifications...) and memory optimization to predict larger structures.

* Animation examples
 - Showed example animations from Nature and Science papers.
 - Reviewed a list of problems in the example animations and tips to avoid them.

* ChimeraX help chatbot
 - Matthias Vorlander tried creating a ChimeraX help chatbot with Google NotebookLM.
 - Elaine reports that it worked quite well for 5 questions she tried.
 - Tried it during meeting.
 - TomG will reply to Matthias that we are interested in pursuing this.

= Action Items =