Docking
How to install idock on Ubuntu?

idock [1] is a multithreaded software based on Autodock Vina. It is a virtual screening tool for flexible ligand docking. It also supports 27 different chemical elements including zinc, magnesium, iron, calcium, etc. In this article, we are going to install idock on Ubuntu.
Preparing system
Open a terminal by pressing Ctrl+Alt+T. Update and upgrade your system using the following commands:
$ sudo apt-get update
$ sudo apt-get upgrade
Downloading idock
You can download idock from here or use the following command. At first, change to a directory where you want to download the software. We are going to download it in the ‘Downloads‘ directory.
$ cd Downloads/
$ wget https://github.com/HongjianLi/idock/archive/refs/tags/v2.2.3.tar.gz
Installing idock
Extract the downloaded software.
$ tar xvzf v2.2.3.tar.gz
A new directory is created namely, idock-2.2.3. Inside this directory, you will find a bin directory, and then inside it, there will be a Linux directory. Move inside the Linux directory.
$ cd idock-2.2.3/bin/Linux/
There you will find a binary file of idock. Now copy this binary to /usr/bin/ directory so that you can use it from anywhere.
$ sudo cp idock /usr/bin/
It is successfully installed on your system, whenever you want to use idock just type $ idock
along with the other arguments.
References
- Li, H., Leung, K. S., & Wong, M. H. (2012, May). idock: A multithreaded virtual screening tool for flexible ligand docking. In 2012 IEEE Symposium on Computational Intelligence in Bioinformatics and Computational Biology (CIBCB) (pp. 77-84). IEEE.
Bioinformatics Programming
How to sort binding affinities based on a cutoff using vs_analysis.py script?

Previously, we have provided a Python script (vs_analysis.py) to analyze the virtual screening (VS) results of Autodock Vina. Now, we have updated this script to sort binding affinities based on user inputted cutoff value. (more…)
Docking
Virtual Screening using Autodock Vina: Frequently Asked Questions & Answers for Starters

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. (more…)
Docking
[Tutorial] How to perform docking of zinc metalloproteins using Autodock Vina?
![[Tutorial] How to perform docking of zinc metalloproteins using Autodock Vina?](https://bioinformaticsreview.com/wp-content/uploads/2021/10/zn.jpg)
Proteins containing zinc atoms are docked in a different way than that of the normal simple proteins. Zinc atoms must be considered by a force field during the docking process. In this article, we are going to dock zinc metalloprotein with a ligand using Autodock Vina [1]. (more…)
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