laeeq80 / multi-vinaLinks
Dock Multiple Ligands with AutoDock Vina with one Command
☆11Updated 7 years ago
Alternatives and similar repositories for multi-vina
Users that are interested in multi-vina are comparing it to the libraries listed below
Sorting:
- A parallel molecular docking program based on AutoDock Vina☆19Updated last month
- PyMOL Plugin for displaying polar contacts☆17Updated 6 years ago
- Ligand binding site prediction and virtual screening☆12Updated 6 years ago
- PCA and normal mode analysis of proteins☆17Updated last year
- ☆9Updated 2 years ago
- An MPI based parallel implementation of Autodock Vina☆16Updated 5 years ago
- Parallelized Open Babel & Autodock suite Pipeline☆24Updated 7 years ago
- LIGSIFT: An open-source tool for ligand structural alignment and virtual screening☆15Updated 7 years ago
- Python code to automatically interact with PDBePISA web server☆11Updated 3 years ago
- The code for the QuickVina homepage.☆33Updated 2 years ago
- Python script that creates 2D protein-ligand interaction images☆14Updated 7 years ago
- protein docking using a density-based descriptor for atoms charge and dynamics☆14Updated 2 years ago
- iScore: an MPI supported software for ranking protein-protein docking models based on a random walk graph kernel and support vector machi…☆31Updated 3 years ago
- Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods☆19Updated 5 years ago
- ☆13Updated 3 years ago
- Python API for Pharmer☆12Updated 6 years ago
- ☆13Updated 7 years ago
- Pras Server is a library to repair PDB or mmCIF structures, add missing heavy atoms and hydrogen atoms and assign secondary structure by …☆27Updated last year
- A Generalised workflow for obtaining protein and peptide molecular structures, docking the peptide into the protein and running a molecul…☆12Updated 7 months ago
- Code available for the quantitative pharmacophores☆12Updated 2 years ago
- A package for MD, Docking and Machine learning drug discovery pipeline☆44Updated 4 years ago
- WaterDock-2.0 implementation with Akshay Sridhar☆16Updated last year
- A unified and modular interface to homology modelling software☆11Updated last year
- This repo contains the collection of codes to find designer interfacial mutations☆17Updated last year
- Personal Notes☆23Updated 3 weeks ago
- A fork of Autodock Vina for DeltaVina scoring function☆9Updated 8 years ago
- Protein-Ligand Interaction Fingerprints☆20Updated 4 years ago
- pKAI: a fast and interpretable deep learning approach to accurate electrostatics-driven pKa prediction☆29Updated 3 years ago
- Collection of Python scripts to setup and run simulations with OpenMM☆17Updated 5 years ago
- Molecular docking workspace for virtual screening campaigns☆9Updated 3 years ago