Doctoral Thesis: Generative Models for Biomolecular Structures and Design

Friday, May 1
11:15 am - 1:00 pm

32-G449 (Kiva)

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By: Hannes Stark

Presenter’s Affiliation: CSAIL

Thesis Supervisor: Tommi Jaakola, Regina Barzilay

Details

  • Date: Friday, May 1
  • Time: 11:15 am - 1:00 pm
  • Location: 32-G449 (Kiva)
Additional Location Details:

Additional Zoom link if people reach out for it: https://zoom.us/j/5775722530?pwd=ZzlGTXlDNThhUDZOdU4vN2JRMm5pQT09

Abstract:
I will discuss how AI is transforming our ability to understand biomolecular interactions and engineer binders. We first cover how machine learning can model the structures of biomolecules, and how this capacity enables designing new molecular binders to manipulate biology as desired and, e.g., address diseases. I present biological wet lab results for our AI designed molecules spanning nanobodies, proteins, peptides, and small-molecule targets, including designs currently being evaluated in mouse models, as well as results on selectivity. We close with an outlook on future directions: small molecule design, enhanced selectivity, drug delivery, pH-dependent binding, and protein particle design.

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