Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.
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Updated
Oct 30, 2023 - Jupyter Notebook
Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.
implicit or explicit water model based docking with Autodock vina engine. supporting pharmacophore /position constrained docking
VRmol: an Integrative Web-Based Virtual Reality System to Explore Macromolecular Structure
LABODOCK: A Colab-Based Molecular Docking Tools
HIPPOS Is PyPLIF On Steroids. A Molecular Interaction Fingerprinting Tool for Docking Results of Autodock Vina and PLANTS
Tactic MMIC for molecular docking using AutoDock Vina
Ligand based target searching
Analysis on the number of non-hydrogen atomic contacts between a ligand and each of specified residues on the protein following molecular docking of multiple ligands to a protein structure.
A simple batch submission script to submit jobs to AutoDock Vina on Linux and MacOS developed by Bhavesh Ashok.
mirror of vina.scripps.edu/download v1.1.2
Package AutoDock Vina, ADFR suite, Meeko, MGLTools into Docker Image.
FireflyVina2LS was developed based on the framework of PSOVina2LS. For more information about Vina, please visit http://vina.scripps.edu.
A quick and dirty virtual screening task for potential ligands of Flavobacterium johnsoniae Tyrosine Ammonia Lyase (FjTAL)
A Bash script to submit batch jobs to ORCA, OpenBabel, MGLTools, and Autodock Vina. Automatically checks for syntax errors in ORCA input files, and can also identify ORCA runtime crashes. Organizes log files into individual directories, and creates an easy to read results summary text file. Created by Rac Mukkamala
Repository for AutoDock Vina Mission framework type in Galileo.
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