uagaug / DeNovoHeterodimers
Scripts and data deposition for de novo heterodimers manuscript
☆10Updated 5 years ago
Related projects ⓘ
Alternatives and complementary repositories for DeNovoHeterodimers
- Codebase for our preprint using trRosetta to design proteins with discontinuous functional sites, found here: https://www.biorxiv.org/con…☆16Updated 3 years ago
- A Motif Hash Based Method for Matching Crosslinkers into Peptides and Proteins☆17Updated 9 months ago
- Scripts used for Mulligan et al. (2020): Computationally-designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1☆16Updated 3 years ago
- ☆24Updated last year
- Making Protein folding accessible to all!☆18Updated 10 months ago
- Extract ligand binding sites from PDB. Match the binding sites to de novo scaffolds.☆11Updated 3 years ago
- ☆31Updated 7 months ago
- Implementation of Protein Invariant Point Packer (PIPPack)☆30Updated 5 months ago
- Rosetta FunFolDes – a general framework for the computational design of functional proteins.☆18Updated 5 years ago
- Automated construction of protein chimeras and their analysis.☆15Updated last year
- Extract the PAE & pLDDT value of Alphafold2 from .pkl to .png, .csv & .pdb file.☆22Updated 2 years ago
- Small_molecule_binder_design_use_pseudocycles☆14Updated this week
- ☆19Updated 2 years ago
- ☆42Updated 4 months ago
- Tutorial files☆11Updated 3 months ago
- Rosetta Funclib☆20Updated 4 years ago
- a fast and accurate physical energy function extended from EvoEF for protein sequence design☆25Updated last year
- PyDock Tutorial☆30Updated 6 years ago
- Rotamer Interaction Field Python Libraries for Computational Protein Design☆11Updated 6 years ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆27Updated 7 months ago
- Modelling protein conformational landscape with Alphafold☆34Updated last month
- ☆16Updated 6 months ago
- ☆35Updated 11 months ago
- Some scripts that I keep using over and over.☆18Updated 8 months ago
- bakerlab pymol scripts☆9Updated 4 years ago
- an ultra-fast and accurate program for deterministic protein sidechain packing☆28Updated last year
- Structure-based self-supervised learning enables ultrafast prediction of stability changes upon mutations☆25Updated last month
- Binding pocket optimization based on force fields and docking scoring functions☆30Updated 3 weeks ago