Protein Representation Learning by Geometric Structure Pretraining
The study of structural biochemistry is based on the axiom that “structure determines...
Jacob Stern
A new state-of-the-art model for molecular conformer generation
In structure-based drug discovery, most methods rely on two key elements of accuracy: accurate...
Deep learning methods for designing proteins scaffolding functional sites
In a recent preprint from the Baker Lab, Jue Wang et. al. outlined a framework for protein...
Design of protein binding proteins from target structure alone
How do you design a protein that binds to another protein given only the target protein structure?...
A General Training Algorithm for Self-supervised Learning
What would you give to be able to train a neural network with 5% of the labels that you...
The Protein Folding Problem – is it Solved?
In CASP14, DeepMind presented the results of AlphaFold, a deep neural network designed for protein...
Blazing-fast, high-accuracy drug-protein docking with EquiBind Geometric Deep Learning
This week we discuss a new paper from the creators and authors of EquiDock [see our related blog on...