Yoshitaka Moriwaki

RGI-Toolkit enables controllable biomolecular structure prediction by integrating experimental restraints into diffusion models without retraining.

This paper introduces a distance-restraint-guided diffusion model to sample protein conformational changes and ligand dissociation pathways, achieving uniform coverage and high structural quality.

The paper predicts protein-protein interactions in biosynthetic gene clusters to uncover hidden molecular networks and functional enzyme complexes.

This study improves stereochemical accuracy in protein-ligand complex structure prediction by addressing limitations in AlphaFold3 and Boltz-1 through a restraint-guided inference method.

The paper improves structure prediction for cysteine-rich proteins in Brassicaceae and analyzes eSRK-SP11 binding modes across haplotypes.

ColabFold couples 40–60-fold faster MMseqs2 homology search to AlphaFold2, matching it on CASP14 and AlphaFold-multimer on ClusPro complexes, yielding close to 1,000 structures daily per GPU.