fkaiserbio / fit3dLinks
🔍 Fit3D - An application for template-based detection of small structural motifs in protein structures and macromolecular structure data.
☆11Updated 7 years ago
Alternatives and similar repositories for fit3d
Users that are interested in fit3d are comparing it to the libraries listed below
Sorting:
- Ligand binding site prediction and virtual screening☆12Updated 7 years ago
- A parallel molecular docking program based on AutoDock Vina☆19Updated last month
- PCA and normal mode analysis of proteins☆18Updated last year
- protein docking using a density-based descriptor for atoms charge and dynamics☆14Updated 2 years ago
- Protein-Ligand Interaction Fingerprints☆21Updated 4 years ago
- ☆12Updated 6 years ago
- Python script that creates 2D protein-ligand interaction images☆14Updated 7 years ago
- Protocols and tools to run (automated) atomistic simulations of enzyme-ligand systems☆21Updated 4 years ago
- Computational Analysis of Novel Drug Opportunities☆39Updated last week
- ☆17Updated 2 years ago
- Tools and routines to calculate distances between synthesis routes and to cluster them.☆27Updated 6 months ago
- Standardization workflow for QSAR-ready chemical structures pre-treatment. See "release" tab for the latest version and sample files!☆22Updated last year
- ☆30Updated 5 months ago
- Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".☆18Updated 2 years ago
- PyMOL Plugin for displaying polar contacts☆17Updated 6 years ago
- development repository for PyInteraph2☆23Updated 7 months ago
- Subpocket-based fingerprint for kinase pocket comparison☆34Updated 2 years ago
- Python code to automatically interact with PDBePISA web server☆11Updated 3 years ago
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Updated last year
- ATTRACT program suite for macromolecular docking (protein-protein, protein-nucleic acid, protein-peptide)☆18Updated 3 months ago
- A Python toolkit to compute molecular features and predict activities and properties of small molecules☆21Updated 3 years ago
- Tool for mining structure-property relationships from chemical datasets☆16Updated 11 months ago
- ☆13Updated 4 years ago
- GaudiMM: A modular optimization platform for molecular design☆32Updated last year
- Dock Multiple Ligands with AutoDock Vina with one Command☆11Updated 7 years ago
- Code available for the quantitative pharmacophores☆12Updated 3 years ago
- Structure-informed machine learning for kinase modeling