fkaiserbio / fit3dLinks
🔍 Fit3D - An application for template-based detection of small structural motifs in protein structures and macromolecular structure data.
☆11Updated 6 years ago
Alternatives and similar repositories for fit3d
Users that are interested in fit3d are comparing it to the libraries listed below
Sorting:
- Protein-Ligand Interaction Fingerprints☆20Updated 4 years ago
- ☆30Updated 4 months ago
- Protocols and tools to run (automated) atomistic simulations of enzyme-ligand systems☆21Updated 3 years ago
- Ligand binding site prediction and virtual screening☆12Updated 6 years ago
- PCA and normal mode analysis of proteins☆18Updated last year
- A parallel molecular docking program based on AutoDock Vina☆19Updated last month
- Voronota is a software tool for analyzing three-dimensional structures of biological macromolecules using the Voronoi diagram of atomic b…☆36Updated last week
- protein docking using a density-based descriptor for atoms charge and dynamics☆14Updated 2 years ago
- Computational Analysis of Novel Drug Opportunities☆39Updated 4 months ago
- PyMOL Plugin for displaying polar contacts☆17Updated 6 years ago
- development repository for PyInteraph2☆23Updated 5 months ago
- ☆17Updated 2 years ago
- An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data☆15Updated 4 years ago
- Python script that creates 2D protein-ligand interaction images☆14Updated 7 years ago
- Open Drug Metabolism & PharmacoKinetics (OpenDMPK) is an open source data resource and toolkit for predicting drug metabolism and pharmac…☆26Updated 3 years ago
- An open-source library for the analysis of protein interactions.☆29Updated 3 years ago
- ☆12Updated 6 years ago
- Web cards/apps describing peptides☆30Updated 2 years ago
- Structure-informed machine learning for kinase modeling☆57Updated this week
- ☆16Updated last month
- A high-quality hand-curated logD7.4 dataset of 1,130 compounds☆20Updated 7 years ago
- Elastic Network Contact Model (coarse-grained Normal Mode Analysis software)☆14Updated 8 years ago
- Protein-Protein Docking using Genetic Algorithm☆17Updated last year
- Subpocket-based fingerprint for kinase pocket comparison☆34Updated last year
- A package for MD, Docking and Machine learning drug discovery pipeline☆44Updated 5 years ago
- A Python toolkit to compute molecular features and predict activities and properties of small molecules☆20Updated 3 years ago
- Code available for the quantitative pharmacophores☆12Updated 3 years ago
- ATTRACT program suite for macromolecular docking (protein-protein, protein-nucleic acid, protein-peptide)☆18Updated 2 months ago
- Python code to automatically interact with PDBePISA web server☆11Updated 3 years ago
- ☆15Updated 7 years ago