Kortemme-Lab / match_ligand_binding_sitesLinks
Extract ligand binding sites from PDB. Match the binding sites to de novo scaffolds.
☆11Updated 4 years ago
Alternatives and similar repositories for match_ligand_binding_sites
Users that are interested in match_ligand_binding_sites are comparing it to the libraries listed below
Sorting:
- ProteinDesign with RFdiffusion and ProteinMPNN/LigandMPNN☆19Updated 5 months ago
- ☆37Updated 2 weeks ago
- ☆29Updated last year
- Some scripts that I keep using over and over.☆19Updated last month
- ☆13Updated last year
- De novo design of small molecule binding sites into proteins☆12Updated 4 years ago
- ☆23Updated 3 months ago
- Making Protein folding accessible to all!☆22Updated last year
- Codebase for our preprint using trRosetta to design proteins with discontinuous functional sites, found here: https://www.biorxiv.org/con…☆16Updated 3 years ago
- Rosetta FunFolDes – a general framework for the computational design of functional proteins.☆21Updated 6 years ago
- ☆33Updated 2 years ago
- Physical energy function for protein sequence design☆33Updated 2 years ago
- Modelling protein conformational landscape with Alphafold☆51Updated last month
- scripts to find PBD structures for cancer driver proteins☆31Updated 6 months ago
- ProtFlow Implementation of the RiffDiff pipeline to design enzymes from theozymes.☆34Updated last week
- Binding pocket optimization based on force fields and docking scoring functions☆34Updated 5 months ago
- A Python framework for the rapid modeling of glycans☆15Updated 7 months ago
- Universal framework for physically based computational protein design☆35Updated 2 years ago
- Controlling the usage of hydrophobic residues on AfDesign for binder peptide design with AlphaFold hallucination protocol☆32Updated 2 years ago
- A Motif Hash Based Method for Matching Crosslinkers into Peptides and Proteins☆22Updated last year
- Protein design and sculpting using Rosetta and Deep learning methods (RFDiff and Alphafold2)☆36Updated last month
- What exactly are the non-canonical amino acids in the Rosetta database folder?☆11Updated 5 years ago
- Scripts and data deposition for de novo heterodimers manuscript☆11Updated 6 years ago
- ☆26Updated 3 weeks ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆34Updated last month
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆57Updated 2 weeks ago
- ☆20Updated 2 years ago
- ☆16Updated 8 months ago
- Analysis of contacts in molecular dynamics trajectories☆43Updated 5 years ago
- Structure prediction and design of proteins with noncanonical amino acids☆88Updated 3 weeks ago