ELELAB / PDBminer
scripts to find PBD structures for cancer driver proteins
☆31Updated last month
Alternatives and similar repositories for PDBminer:
Users that are interested in PDBminer are comparing it to the libraries listed below
- Binding pocket optimization based on force fields and docking scoring functions☆31Updated 3 weeks ago
- Use AutoDock for Ligand-based Virtual Screening☆21Updated 7 months ago
- ☆13Updated last year
- Fully automated high-throughput MD pipeline☆58Updated 2 weeks ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 6 months ago
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆22Updated 4 months ago
- ☆18Updated 5 months ago
- ☆16Updated 4 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆29Updated 3 weeks ago
- Guiding diffusion models for antibody sequence and structure co-design with developability properties.☆32Updated 5 months ago
- ☆21Updated 2 months ago
- Deep learning framework for protein sequence design from a backbone scaffold that can leverage the molecular context including non-protei…☆39Updated 4 months ago
- bakerlab pymol scripts☆21Updated 5 years ago
- Cryptic pocket prediction using AlphaFold 2☆22Updated 2 years ago
- Quick mapping of Uniprot sequences to PDB structures☆27Updated last week
- Controlling the usage of hydrophobic residues on AfDesign for binder peptide design with AlphaFold hallucination protocol☆31Updated last year
- ☆31Updated last year
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆25Updated 6 months ago
- Extension of ThermoMPNN for double mutant predictions☆32Updated last month
- ☆24Updated 5 months ago
- Graphormer Based Protein Sequence Design☆24Updated last year
- Modelling protein conformational landscape with Alphafold☆46Updated last month
- Scores for Hydrophobicity and Charges based on SASAs☆31Updated 3 weeks ago
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆20Updated last year
- Highly accurate and efficient deep learning paradigm for full-atom protein loop modeling with KarmaLoop☆11Updated 10 months ago
- NuFold: End-to-End Approach for RNA Tertiary Structure Prediction with Flexible Nucleobase Center Representation☆32Updated last week
- Folding-Docking-Affinity framework for protein-ligand affinity prediction☆21Updated 3 weeks ago
- Code for ApoDock☆19Updated last week
- ☆34Updated last year
- Benchmarking compound activity prediction for real-world drug discovery applications☆11Updated 11 months ago