James Fraser, Professor, Department of Bioengineering & Therapeutic Sciences; California Institute of Quantitative Biosciences, University of California San Francisco, will give a talk titled, "Statistical Structural Biology."

This seminar will also be available by Zoom. Zoom link TBA

Please note:

* Full names must be used to be admitted to the Zoom meeting.

* The Zoom meeting will be closed and locked at 12:15 p.m., and no one will be able to enter the meeting after that time.

ABSTRACT

In a post-"structure prediction is solved" world, our lab is obsessed with the concept of statistical structural biology. We collect large datasets (X-ray fragment screens from 1000s of individual crystals) and use new statistical approaches to identify small molecule binders. This inspires new inhibitors, allosteric modulators, and enzyme design strategies. We also examine how experimental information encodes statistical distributions of conformations. This inspires software (e.g. qFit) that reveals hidden conformations, new guidance frameworks for diffusion models that reveals memorization, and
experiments to extract even more information. These two aspects are synergistic in examining many aspects of biology. A current focus is the promiscuity of ligand binding in drug metabolism proteins, as part of the OpenADMET.