It is difficult to manage thousands of compounds altogether while performing virtual high-throughput screening. Compounds databases allow to download of molecules in different formats such as...
Docking software such as Autodock4 [1] and Autodock Vina [2] require input receptor and ligand files in a specific format called pdbqt. Sometimes, preparing files using Autodock...
Virtual High Throughput Screening (vHTS), also known as Virtual Screening (VS) is one of the essential steps involved in in-silico drug designing. There are several bioinformatics...
This is a video tutorial of our existing article.
We have compiled all articles on docking into a Special Issue. This is a complete guide on molecular docking using Autodock Vina for beginners. It includes...
Virtual screening is used to identify small molecules that are most likely to bind to a target protein. There is various software available for virtual screening...
In our last article, we explained the installation of LigPlot+ [1] on Ubuntu. In this article, we will perform protein complex analysis using LigPlot+.
The discovery studio (DS) visualizer [1] offers several features for analyzing docking results. In previous articles (“Tutorial: Vina Output Analysis Using PyMol” and “Video Tutorial: Autodock...
Molecular docking is the most widely used technique which is used to predict the binding affinities and bound conformations of a ligand and protein complex. Autodock...
This is a video tutorial of Autodock Vina installation on Ubuntu, based on our existing tutorial.
Blind docking is done when the catalytic/binding residues are unknown in a protein, hence, the binding pocket is unknown. In a previous article, we showed how to...
The analysis of Autodock Vina [1] results is a bit tricky in the sense of viewing all interactions and selecting the best pose. In our last...
This is a video tutorial to demonstrate the analysis of Autodock Vina results using PyMol, in continuation of our existing docking tutorial.
In the previous article, a new plugin called ‘Raccoon’ was mentioned, which helps in preparing virtual screening using Autodock. It provides a simple graphical user interface...
As mentioned in our previous articles, Autodock Vina [1] is a very useful bioinformatics tool for molecular docking and provides various options for site-specific docking and...
Protein-protein interactions are considered necessary in interactome analysis as they play an important in various biological processes such as post-translational modifications and signal transduction, and short...
This is a video added to our existing tutorial
AutoDock Vina is one of the most popular software in Bioinformatics, known for molecular docking simulations. I have already explained the docking procedure in my previous...
I have been getting several E-mails from researchers and students alike regarding in-silico docking. Most questions are similar in nature, so I thought of answering them...
AutoDock Vina is a bioinformatics tool that is used to perform in-silico docking of proteins with a ligand. It provides many options depending on the needs...
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