Predict putative protein targets for small molecules using a new tool
It is computationally costly to predict target proteins for query compounds or…
Converting smiles into 3D structures using openbabel.
Openbabel is used to inter-convert many file formats . It is available…
How to download small molecules from ZINC database for virtual screening?
It is difficult to manage thousands of compounds altogether while performing virtual…
Prepare receptor and ligand files for docking using Python scripts
Docking software such as Autodock4 and Autodock Vina require input receptor and…
Virtual Screening Methodology for Structure-based Drug Designing
Virtual High Throughput Screening (vHTS), also known as Virtual Screening (VS) is…
Video Tutorial: Virtual Screening using Autodock Vina
This is a video tutorial of our existing article.
Beginner’s Guide for Docking using Autodock Vina
We have compiled all articles on docking into a Special Issue. This…
How to perform virtual screening using Autodock Vina?
Virtual screening is used to identify small molecules that are most likely…
Protein-ligand interaction analysis using LigPlot+
In our last article, we explained the installation of LigPlot+ on Ubuntu.…
Vina output analysis using Discovery Studio visualizer
The discovery studio (DS) visualizer offers several features for analyzing docking results.…
Autodock VinaXB for molecular docking of protein complexes containing halogen bonding interactions
Molecular docking is the most widely used technique which is used to…
Video tutorial: How to install Autodock Vina on Ubuntu?
This is a video tutorial of Autodock Vina installation on Ubuntu, based on…
How to perform blind docking using AutoDock Vina?
Blind docking is done when the catalytic/binding residues are unknown in a…
Tutorial: Vina Output Analysis Using PyMol
The analysis of Autodock Vina results is a bit tricky in the…
Video Tutorial: Autodock Vina Result Analysis with PyMol
This is a video tutorial to demonstrate the analysis of Autodock Vina results…
Raccoon2: A GUI facilitating virtual screenings with Autodock and Autodock Vina
In the previous article, a new plugin called 'Raccoon' was mentioned, which…
How to install Raccoon plugin on Ubuntu for virtual screening using Autodock?
As mentioned in our previous articles, Autodock Vina is a very useful…
Web-based tools for protein-peptide docking
Protein-protein interactions are considered necessary in interactome analysis as they play an…
Video Tutorial: How to perform docking using Autodock Vina
This is a video added to our existing tutorial
How to install AutoDock Vina on Ubuntu?
AutoDock Vina is one of the most popular software in Bioinformatics, known…