MRC Laboratory of Molecular Biology

De novo small molecule design for protein pockets, steering a discrete flow-matching generator with gradients from a frozen Boltz-2 affinity model.

RNA inverse-folding model that generates sequences predicted to fold into a target 3D backbone, capturing non-canonical pairs and tertiary motifs.

Inverse protein folding model for all-atom structures with bound ligands, nucleotides, or metal ions. Reaches 75.7% sequence recovery at metal sites.

GPCR peptide agonist screening with a graph neural network over AlphaFold-Multimer active-state complexes and interatomic contact graphs.

Whole-brain axon and soma segmentation foundation model and registration pipeline for developmental connectomics, with no per-stage retraining.

Cryo-electron tomography membrane analysis pipeline pairing generalizable U-Net membrane segmentation with mesh-based particle localization.