Changes between Version 2 and Version 3 of 2025-8-14


Ignore:
Timestamp:
Aug 14, 2025, 2:33:11 PM (2 months ago)
Author:
Tom Goddard
Comment:

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  • 2025-8-14

    v2 v3  
    11= Attendees =
    22
    3 Tom Goddard, Zach, Greg, Eric, Elaine, Tom Ferrin
     3Tom Goddard, Zach, Greg, Elaine, Tom Ferrin
    44
    55August 14, 2025
     
    1212= Discussion Notes =
    1313
     14* Boltz structure prediction in ChimeraX
     15 - Demonstrated how to predict HIV protease dimer bound with a set of 50 ligands.
     16 - Not yet in daily build.
     17 - 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).
     18 - Future Boltz plans include new features (templates, pocket specification, post-translational modifications...) and memory optimization to predict larger structures.
     19
     20* Animation examples
     21 - Showed example animations from Nature and Science papers.
     22 - Reviewed a list of problems in the example animations and tips to avoid them.
    1423
    1524= Action Items =