ElsevierSoftwareX / SOFTX-D-16-00070Links
python simulation interface for molecular modeling. To cite this software publication: https://www.sciencedirect.com/science/article/pii/S2352711016300395. To cite the Software Update Publication: https://www.sciencedirect.com/science/article/pii/S2352711018300141.
☆13Updated 9 years ago
Alternatives and similar repositories for SOFTX-D-16-00070
Users that are interested in SOFTX-D-16-00070 are comparing it to the libraries listed below
Sorting:
- A novel approach to pose selection in protein-ligand docking based on graph theory.☆20Updated 9 years ago
- Python Modeling Interface☆13Updated last week
- Flexible Artificial Intelligence Docking☆17Updated 3 months ago
- ☆16Updated 9 years ago
- Example files for Colvars module: https://github.com/Colvars/colvars☆13Updated 4 years ago
- Tutorials and examples for nicer animations (movies) and images in PyMOL.☆21Updated 10 years ago
- Python script that creates 2D protein-ligand interaction images☆14Updated 7 years ago
- This repository is the used for teaching the Physical Chemistry Practicum about Molecular Dynamics (MD) simulations for pharmacy and biol…☆12Updated 7 months ago
- Solvent network analysis. Hop is a python package based on MDAnalysis to analyze solvation dynamics.☆15Updated 7 years ago
- MMTSB Tool Set☆32Updated 2 weeks ago
- 2D/3D generation for small compounds☆33Updated 5 years ago
- Protein preparation for MD, made faster and easier !☆14Updated last year
- ☆12Updated 7 years ago
- ☆16Updated 6 years ago
- Command line tool to generate Kripo fingerprints from Protein Data Bank files.☆17Updated 2 years ago
- Data repository for pkasolver☆13Updated 3 years ago
- ☆11Updated last month
- Simulation code for the prediction of RNA structures.☆12Updated 10 months ago
- Container-based installation of pymol, with interaction through the browser via Jupyter notebook☆20Updated 6 years ago
- molecule design for fluorescence☆12Updated 4 years ago
- PCA and normal mode analysis of proteins☆19Updated last year
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆12Updated 4 years ago
- Shape-based alignment of molecules using 3D point-based representation☆22Updated last year
- ☆13Updated 7 years ago
- This is a short tutorial showing how to use both VMD and MDAnalysis to analyse a molecular dynamics simulation of a membrane protein.☆28Updated 5 years ago
- A parallel molecular docking program based on AutoDock Vina☆19Updated 2 months ago
- 🔍 Fit3D - An application for template-based detection of small structural motifs in protein structures and macromolecular structure data…☆11Updated 7 years ago
- Automated omics-scale protein modeling and simulation setup.☆53Updated 4 years ago
- Matrix factorization and deep learning for molecular property prediction☆13Updated 6 years ago
- Molecular dynamics and Monte Carlo simulation package for polymeric and molecular liquids☆35Updated 3 years ago