ld139 / ApoDock_publicLinks
Code for ApoDock
☆21Updated 7 months ago
Alternatives and similar repositories for ApoDock_public
Users that are interested in ApoDock_public are comparing it to the libraries listed below
Sorting:
- Binding pocket optimization based on force fields and docking scoring functions☆37Updated 8 months ago
- scripts to find PBD structures for cancer driver proteins☆31Updated this week
- Neural Iterative Selection-Expansion using LASErMPNN and Boltz-2x☆28Updated this week
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 5 months ago
- Explicit crosslinks in AlphaFold 3☆23Updated 8 months ago
- Clustering of SES virtual probes for pocket generation and ranking via Isolation Forest☆13Updated 2 years ago
- Modelling protein conformational landscape with Alphafold☆54Updated 2 months ago
- Scores for Hydrophobicity and Charges based on SASAs☆39Updated 5 months ago
- ☆25Updated 3 months ago
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆15Updated last year
- ProteinDesign with RFdiffusion and ProteinMPNN/LigandMPNN☆22Updated 8 months ago
- AI/ML Based QSAR Modeling and Translation to Deployable QSAR WebApps☆17Updated 3 weeks ago
- ☆13Updated 2 years ago
- This repository provides with custom code and analysis scripts to generate structural ensembles of intrinsically disordered proteins by u…☆19Updated 2 weeks ago
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Updated last year
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆30Updated 2 months ago
- Some scripts that I keep using over and over.☆20Updated 4 months ago
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆24Updated 4 months ago
- De novo design of small molecule binding sites into proteins☆12Updated 4 years ago
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆32Updated 2 weeks ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆35Updated last month
- Use AutoDock for Ligand-based Virtual Screening☆23Updated last year
- ☆36Updated 2 years ago
- ☆15Updated last month
- Cryptic pocket prediction using AlphaFold 2☆24Updated 2 years ago
- ☆12Updated 2 years ago
- A convinent tool to visualize AlphaFold 3 prediction results with PyMOL and matplotlib☆20Updated last year
- development repository for PyInteraph2☆21Updated 7 months ago
- ☆52Updated 6 months ago
- ☆22Updated 7 months ago