autodock-vina
There are 2 repositories under autodock-vina topic.
AngelRuizMoreno / Jupyter_Dock
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.
Language:Jupyter Notebook 246- Language:Python 74
biocheming / watvina
implicit or explicit water model based docking with Autodock vina engine. supporting pharmacophore /position constrained docking
Language:Jupyter Notebook 44- VRmol
kuixu / VRmol
VRmol: an Integrative Web-Based Virtual Reality System to Explore Macromolecular Structure
Language:JavaScript 34 - Language:Jupyter Notebook 29
radifar / PyPLIF-HIPPOS
HIPPOS Is PyPLIF On Steroids. A Molecular Interaction Fingerprinting Tool for Docking Results of Autodock Vina and PLANTS
Language:Python 26Metaphorme / AutoDock-Vina-Docker
Package AutoDock Vina, ADFR suite, Meeko, MGLTools into Docker Image.
- Language:C++ 7
MolSSI / mmic_autodock_vina
Tactic MMIC for molecular docking using AutoDock Vina
Language:Python 4vegetablejuiceftw / coronavirus-begone
A Colab notebook explaining the pipeline for smile format, openbabel, autodock vina, pymol and more
Language:Jupyter Notebook 4kevinshliu / Protein-Ligand-Interaction-Analysis
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.
Language:Python 3- Language:Python 3
bhaveshashok / AutoDockVina-BatchSubmission
A simple batch submission script to submit jobs to AutoDock Vina on Linux and MacOS developed by Bhavesh Ashok.
Language:Shell 2crfield18 / PhD-scripts
A collection of scripts written for use with different computational biology/chemistry packages throughout my PhD.
Language:Python 2mungowz / Bachelor-thesis
Bachelor thesis
Language:TeX 2UnixJunkie / autodock-vina
mirror of vina.scripps.edu/download v1.1.2
Language:C++ 2- Language:Shell 2
- Language:Shell 2
luqmanzaceria / ligand-docking-script
Computational Drug Screening Platform
Language:Python 1MarcusAo / FireflyVina2LS
FireflyVina2LS was developed based on the framework of PSOVina2LS. For more information about Vina, please visit http://vina.scripps.edu.
Language:C++ 1Orpowell / autodock-vina-automator
A script to run docking experiments in AutoDock Vina for several ligands at once with technical replicates.
Language:Python 1quantaosun / webdock
Open-Sourced. Easy docking in your browser without any login requirement. Post processing and interaction diagram included.
Language:Jupyter Notebook 1- Language:C++ 1
- Language:C 1
Amirreza-Mousavi / FjTAL_Virtual_Screening_QND
A quick and dirty virtual screening task for potential ligands of Flavobacterium johnsoniae Tyrosine Ammonia Lyase (FjTAL)
Language:Shell 0Ranking of all the ligands in molecular docking by their AutoDock Vina scores, an approximation to their free energy of binding to the protein.
Language:Python 0RackS103 / Batch-HTVS
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
Language:Python 0ruslankhabirov / Biocad-a-specialist-in-structural-bioinformatics-test-task
Test task for the position of a specialist in structural bioinformatics in the BIOCAD Corporation
Language:Python 0trishnasaha / 3rd_PhD_Project_Virtual_Screening_Arginase_Inhibitor
Autodock-Vina, NAMD, VMD
Language:Perl 0- Language:HTML
GoHypernet / Galileo-AutoDock-Vina-Framework
Repository for AutoDock Vina Mission framework type in Galileo.
Language:Dockerfile
