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 271- Language:Python 92
biocheming / watvina
implicit or explicit water model based docking with Autodock vina engine. supporting pharmacophore /position constrained docking
Language:Jupyter Notebook 69- Language:Jupyter Notebook 45
- VRmol
kuixu / VRmol
VRmol: an Integrative Web-Based Virtual Reality System to Explore Macromolecular Structure
Language:JavaScript 35 radifar / PyPLIF-HIPPOS
HIPPOS Is PyPLIF On Steroids. A Molecular Interaction Fingerprinting Tool for Docking Results of Autodock Vina and PLANTS
Language:Python 29Metaphorme / AutoDock-Vina-Docker
Package AutoDock Vina, ADFR suite, Meeko, MGLTools into Docker Image.
- Language:C++ 7
- Language:Python 5
MolSSI / mmic_autodock_vina
Tactic MMIC for molecular docking using AutoDock Vina
Language:Python 4Prospero1988 / AutoDock_vina_pipeline
This repository provides an automated docking solution for ligands and receptor proteins using AutoDock Vina and P2Rank, enhanced with a Streamlit-based web interface for simple and intuitive browser-based operation. It supports high-throughput workflows and includes SLURM integration for advanced task management while remaining easy to use locally
Language:Python 4vegetablejuiceftw / coronavirus-begone
A Colab notebook explaining the pipeline for smile format, openbabel, autodock vina, pymol and more
Language:Jupyter Notebook 4GiovanniMerici / Autodock-Vina
Simple pipeline to execute molecular docking experiments
Language:Jupyter Notebook 3kevinshliu / 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 3Orpowell / autodock-vina-automator
A script to run docking experiments in AutoDock Vina for several ligands at once with technical replicates.
Language:Python 3bhaveshashok / 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++ 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
Adam-maz / mol2_to_pdbqt_converter
Herein, I introduce some mol2-to-pdbqt converters written in R and Python
Language:Python 0Amirreza-Mousavi / FjTAL_Virtual_Screening_QND
A quick and dirty virtual screening task for potential ligands of Flavobacterium johnsoniae Tyrosine Ammonia Lyase (FjTAL)
Language:Shell 0jonathanfernandi / Capsaicin
This repository contains Jonathan et al.'s AoL (Assurance of Learning) Project for SCIE6062001 - Computational Biology Course. This project has been declared to have passed with a high distinction (score: 100, grade: A).
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 0NikitaArya17 / molecular_docking
This repository provides a demonstration of basic molecular docking using software tools such as AutoDock and ChimeraX. These techniques form part of the curriculum of the Bioinformatics practical course offered by Ahmedabad University, under the course code BIO205.
0- Language:Python 0
tanveerm176 / CancerResearch
Research Poster and Report from a breast cancer research study for which I contributed to as part of an internship at BMCC.
0trishnasaha / 3rd_PhD_Project_Virtual_Screening_Arginase_Inhibitor
Autodock-Vina, NAMD, VMD
Language:Perl 0- Language:Python
- Language:HTML
