jaaamessszzz / BindingSitesFromFragmentsLinks
De novo design of small molecule binding sites into proteins
☆12Updated 4 years ago
Alternatives and similar repositories for BindingSitesFromFragments
Users that are interested in BindingSitesFromFragments are comparing it to the libraries listed below
Sorting:
- Rosetta FunFolDes – a general framework for the computational design of functional proteins.☆20Updated 6 years ago
- Fraction of Common Contacts Clustering Algorithm for Protein Structures☆26Updated 3 years ago
- Some scripts that I keep using over and over.☆19Updated 2 weeks ago
- ☆19Updated 2 years ago
- Codebase for our preprint using trRosetta to design proteins with discontinuous functional sites, found here: https://www.biorxiv.org/con…☆16Updated 3 years ago
- Making Protein folding accessible to all!☆22Updated last year
- A Motif Hash Based Method for Matching Crosslinkers into Peptides and Proteins☆20Updated last year
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Updated 9 months ago
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆44Updated 2 years ago
- ProteinDesign with RFdiffusion and ProteinMPNN/LigandMPNN☆18Updated 4 months ago
- ☆26Updated this week
- ☆13Updated 4 years ago
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆51Updated last month
- Code for ApoDock☆20Updated 3 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated last month
- ☆13Updated last year
- Extract ligand binding sites from PDB. Match the binding sites to de novo scaffolds.☆11Updated 4 years ago
- Modelling protein conformational landscape with Alphafold☆51Updated 3 weeks ago
- scripts to find PBD structures for cancer driver proteins☆31Updated 4 months ago
- Physical energy function for protein sequence design☆31Updated 2 years ago
- Binding pocket optimization based on force fields and docking scoring functions☆33Updated 3 months ago
- ☆33Updated last year
- Some Rosetta Scripts that allow for various simple tasks☆14Updated 5 years ago
- Controlling the usage of hydrophobic residues on AfDesign for binder peptide design with AlphaFold hallucination protocol☆32Updated last year
- Code for designing binders to flexible peptides with AlphaFold2 Hallucination☆26Updated last year
- This repository contains the AlphaCutter.py for the removal of non-globular regions from predicted protein structures.☆15Updated last year
- Tutorial files☆11Updated 11 months ago
- ☆34Updated 2 weeks ago
- A Python framework for the rapid modeling of glycans☆15Updated 5 months ago
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆27Updated 5 months ago