Hanqun Cao

Subsampling MSAs based on energetic frustration can dramatically enhance the recovery of alternative protein conformations, outperforming traditional sequence-based methods.

AlloGen reveals that conformational selectivity in protein binder design can be learned and optimized, not just assumed.

Chemical modifications to proteins, often missed by standard protein language models, can now be accurately captured and leveraged for improved biomolecule design, thanks to a new framework that fuses atomic-level details with broader sequence context.