Structure Prediction
topic on 1 show · 4 statements across 2 episodes
4 statements about Structure Prediction, every show
McPartlon: Structure prediction is a speed-run benchmark compared to de novo design
“The nice thing about structure prediction is there is a ground truth that you can compare against. For design, you, don't really have that. You're like, here's some new, like disease molecule. Give me a binder for that. And like, if you want to know if this th…”
McPartlon: Designing an antibody binder is often easier than predicting binding
“And in some cases it might actually be even easier to design a protein binder that is an antibody than to actually predict how it might bind that target in general.”
Diffusion Generates Distinct Structures While Regression Averages Them
“What's going to happen in a regression model is that, you know, I'm going to try to make an average of those different kind of answers that I had in mind. When you have a generative model, what you're going to do is, you know, sample all these different answer…”
AI Excels at Structure Prediction but Fails to Model Physical Folding
“Folding is the more complex process of actually understanding, like, how it goes from, like, this disordered state into, like, a structured, like, state, and that I don't think we've made that much progress on, but the idea of, like, yeah, going straight to th…”