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There you can prepare your receptor and ligands for docking. For this, you can refer to blind docking and site-specific docking articles. After you prepare all files, keep them in a same folder. Open a command prompt, provide the full path to vina executable vina. The procedure and command to run Vina on Windows are explained in this article. His areas of expertise include algorithm design, phylogenetics, MicroArray, Plant Systematics, and genome data analysis.
If you have questions, reach out to him via his homepage. You must be logged in to post a comment Login. You must be logged in to post a comment. In this article, we will discuss this in detail. Now, we have updated this script to sort binding affinities based on user inputted cutoff value. Virtual Screening VS is one of the important techniques in bioinformatics. It can be easily performed using Autodock Vina.
AutoDock is the original engine the AutoDock Suite. AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure. Over the years, it has been modified and improved to add new functionalities, and multiple engines have been developed. Tariq Abdullah. You may like. How to install multiple Pymol versions on Ubuntu Linux? Click to comment.
You must be logged in to post a comment Login Leave a Reply Cancel reply You must be logged in to post a comment. Published 4 months ago on March 29, By Dr. Muniba Faiza. Continue Reading. Published 7 months ago on January 7, Docking [Tutorial] How to perform docking of zinc metalloproteins using Autodock Vina?
Published 10 months ago on October 25, Tweets by BioinfoReview. Login Sign Up. Related Topics: Autodock Vina docking installation mgltools Windows. Tariq Abdullah.
You may like. What values are considered as good or bad in computational docking? Click to comment. You must be logged in to post a comment Login Leave a Reply Cancel reply You must be logged in to post a comment.
Docking What values are considered as good or bad in computational docking? Published 1 month ago on November 1, By Dr. Muniba Faiza. Continue Reading. Published 9 months ago on March 29, Published 11 months ago on January 7,
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