RFDiffusion: Accurate protein design using structure prediction and diffusion generative models
Tuesday February 14th, 4-5 pm EST | Joe Watson & David Juergens
There has been considerable recent progress in designing new proteins using deep learning methods. Despite this progress, a general deep learning framework for protein design that enables solution of a wide range of design challenges, including de novo binder design and design of higher order symmetric architectures, has yet to be described. Diffusion models10,11 have had considerable success in image and language generative modeling but limited success when applied to protein modeling, likely due to the complexity of protein backbone geometry and sequence-structure relationships. Here we show that by fine tuning the RoseTTAFold structure prediction network on protein structure denoising tasks, we obtain a generative model of protein backbones that achieves outstanding performance on unconditional and topology-constrained protein monomer design, protein binder design, symmetric oligomer design, enzyme active site scaffolding, and symmetric motif scaffolding for therapeutic and metal-binding protein design. We demonstrate the power and generality of the method, called RoseTTAFold Diffusion (RFdiffusion), by experimentally characterizing the structures and functions of hundreds of new designs. In a manner analogous to networks which produce images from user-specified inputs, RFdiffusion enables the design of diverse, complex, functional proteins from simple molecular specifications.
Preprint: www.biorxiv.org/content/10.11...
Пікірлер: 10
Thank you so much for sharing this with us on KZread
Congratulations on this very nice piece of work!
This work is unprecedented!
can't wait to try it out!
impressive !!! appreciate the hard work
You guys are my heroes, congratulations! Nobel prize perhaps?
im using the google colab platform that they put on github but i don't know exactly the configurations, imt trying to creat a binder
38:23 this is amazing work! I am very new to this. A naive question, for the last example, what info do you need to provide to the model to get the binder? Do you provide any guidance in terms of backbone info or any other minimal info?
@PhiLordGenetic
10 ай бұрын
did you get any answer?
@yaoyu4798
10 ай бұрын
@@PhiLordGenetic nope haha