Medical & Healthcare
LigandMPNN
Inverse-fold a backbone with ligand, nucleic-acid, and metal context using LigandMPNN (Dauparas et al. 2023, github.com/dauparas/LigandMPNN). Reach for this skill to redesign the residues lining a binding pocket around a bound small molecule or cofactor, to design metal-coordinating sites where the geometry must be respected, or to get threaded designed-sequence PDBs out of any MPNN run.
- Publisher / source
- aipoch/open-science (found on GitHub top repositories)
- Upstream record
- aipoch/open-science
- Version
- Version 1
- Published
- Publication review
- Approved for publication
- Content fingerprint
57ec2d14fafdbb4b58d85b8db43d229ab65c5ef1dea4a486579c7c00d7284382