3 papers
q-bio.BM2024
Assessing interaction recovery of predicted protein-ligand poses
David Errington, Constantin Schneider, Cédric Bouysset +1
The field of protein-ligand pose prediction has seen significant advances in recent years, with machine learning-based methods now being commonly used in lieu of classical docking…
q-bio.BM2024
ABodyBuilder3: Improved and scalable antibody structure predictions
Henry Kenlay, Frédéric A. Dreyer, Daniel Cutting +2
Accurate prediction of antibody structure is a central task in the design and development of monoclonal antibodies, notably to understand both their developability and their bindin…
q-bio.BM2024
De novo antibody design with SE(3) diffusion
Daniel Cutting, Frédéric A. Dreyer, David Errington +2
We introduce IgDiff, an antibody variable domain diffusion model based on a general protein backbone diffusion framework which was extended to handle multiple chains. Assessing the…