Virtual Screening (VS) is one of the important techniques in bioinformatics. It can be easily performed using Autodock Vina. We have provided detailed articles on this topic. In this article, we are trying to answer some FAQs for beginners. https://bioinformaticsreview.com/20200703/virtual-screening-methodology-for-structure-based-drug-designing/
At first, a few of the basic questions regarding VS are explained below followed by the FAQs regarding VS in Autodock Vina.
Question: What is VS in bioinformatics?
Answer:
Question: What is the basic methodology involved in VS in bioinformatics?
Answer:
Virtual Screening Methodology for Structure-based Drug Designing
Question: Is VS using Autodock Vina possible? If yes, then how?
Answer: Yes, VS using Autodock Vina is possible. It can be done two ways, either by installing the Raccoon plugin or by using a Perl script. The plugin will run on a server.
Question: How can I perform virtual screening without the Raccoon plugin?
Answer: If you don’t have a cluster computer, then you can easily use Perl script. Since you will have to prepare multiple ligands/proteins or maybe a complete database, therefore, you can use Python scripts for that. Now, the result log files will be huge in numbers. For this purpose, there is another Python script. Here are links to some of the articles that will guide you.
Prepare receptor and ligand files for docking using Python scripts
vs_Analysis.py: A Python Script to Analyze Virtual Screening Results of Autodock Vina
Question: How to download compounds for VS?
Answer:
How to download small molecules from ZINC database for virtual screening?
Question: How to install the Raccoon2 plugin for VS?
Answer:
Raccoon2: A GUI facilitating virtual screenings with Autodock and Autodock Vina
Question: How do I define ligand names for virtual screening?
Answer:
https://bioinformaticsreview.com/question/how-do-i-define-ligand-names-for-virtual-screening/
