David Errington
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View article: Computational design of therapeutic antibodies with improved developability: efficient traversal of binder landscapes and rescue of escape mutations
Computational design of therapeutic antibodies with improved developability: efficient traversal of binder landscapes and rescue of escape mutations Open
Developing therapeutic antibodies is a challenging endeavor, often requiring large-scale screening to produce initial binders, that still often require optimization for developability. We present a computational pipeline for the discovery …
View article: Computational design of developable therapeutic antibodies: efficient traversal of binder landscapes and rescue of escape mutations
Computational design of developable therapeutic antibodies: efficient traversal of binder landscapes and rescue of escape mutations Open
Developing therapeutic antibodies is a challenging endeavour, often requiring large-scale screening to produce initial binders, that still often require optimisation for developability. We present a computational pipeline for the discovery…
View article: Assessing interaction recovery of predicted protein-ligand poses
Assessing interaction recovery of predicted protein-ligand poses Open
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 methods or even to predict all-atom protein-ligand complex …
View article: De novo antibody design with SE(3) diffusion
De novo antibody design with SE(3) diffusion Open
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 designability and novelty of the structures generated with…