Protein-protein interactions (PPIs) are the fundamental unit of function in biology because protein pairs are the basis for protein pathways, networks, and regulation. Understanding PPIs is a crucial step in developing more effective drugs that can regulate pathways instead of single proteins like it is done nowadays. Despite their importance, a striking lack of knowledge still surrounds PPIs and our ability to characterize them.
PPI structure prediction
In July 2021 two powerful AI tools have been released to predict monomer structures. We aim to integrate these tools in our pipeline to predict dimer structures using physics based simulations.
PPI binding affinities
Genetic mutations can have important effects on the binding affinity of dimers. We aim to use physics based computational tools to quantitatively predict the effect that mutations have on the ability of monomers to bind to each others.