Attendees

Selina, Zach, Eric, Elaine, TomG, Greg, TomF

November 16, 2023

Agenda

• Elaine journal club, ​SlicerTMS slides
• Zach gave Kansas University ChimeraX tutorial with Phenix team

Discussion Notes

• ChimeraX license management web page
  • Greg working on web page for managing Chimera and ChimeraX licenses including handling revoked or expired licenses.

• Kansas Phenix workshop
  • Zach's ChimeraX cryoEM tutorial at the Phenix workshop at Kansas Univ was well received.
  • Survey of most appreciated talks rated ChimeraX and AlphaFold talks highest.

• Google AlphaFold with ligands
  • Google DeepMind published in Nature new results predicting ligands with proteins and nucleic acids.
  • Ligand prediction out-performed AutoDock Vina on benchmark by a large margin.
  • Ligand is input as SMILES string, individual heavy atoms are "tokens" for neural net input.
  • Code has not been released. Will it be commercialized?

• Elaine journal club, SlicerTMS
  • Showed fast machine learning prediction of electric field in brain for treating depression.
  • Software is an extension to Slicer 3D.
  • Can be used with visualization of MRI and tractography.
  • Can work with Slicer VR and AR.

• New Mac computers
  • Tom Ferrin ordered new iMac for Elaine and Mac Studio for Tom G.

Action Items