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
- HughYau/AcademicForge (found on GitHub top repositories)
- Upstream record
- HughYau/AcademicForge
- Version
- Version 1
- Published
- Publication review
- Approved for publication
- Content fingerprint
004f25fe7caab394424fb7e2660b9428ad7079d0b9ff1d573079ab6340938396