Drug-drug interaction is an important method in bioinformatics, especially in the case of treatment of serious diseases such as cancer. It tells us about the drug...
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...
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...
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...
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...
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...
This is a video added to our existing tutorial
There are many biological important enzymes which exist in the human body, one of them is Cytochrome P450 (CyP450) enzymes which are mostly considered in drug...
The interaction amongst plasma proteins and drugs is an imperative pharmacological parameter which impacts their pharmaco-dynamic behaviors and influences the circulation and disposal of a drug,...
Systems pharmacology is an emerging area in the field of medicinal chemistry and pharmacology which utilizes systems network to understand drug action at the organ and...
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