Fold and dock proteins using reinforcement learning
Title: Fold and dock proteins using reinforcement learning
SNIC Project: LiU-gpu-2022-3
Project Type: LiU Compute
Principal Investigator: Björn Wallner <bjorn.wallner@liu.se>
Affiliation: Linköpings universitet
Duration: 2022-10-12 – 2023-11-01
Classification: 10601
Keywords:

Abstract

AI transformed the field of protein structure predicting in the last year, following the release of AlphaFold2. We have adapted AlphaFold to better sample the conformational space and it is now possible to sample more conformational states to capture the dynamics and functional nature of proteins. We will use the current allocation to continue developing the protocol and apply it for interesting protein target, for which dynamics is important to understand the biological function.