Computational docking is not a trivial task once we avoid making some mistakes. In this section, let’s learn about some important points that we should keep...
Previously, we have provided the vs_analysis.py script to analyze virtual screening (VS) results obtained from Autodock Vina. In this article, we have provided another script to...
SMINA is a fork of AutoDock Vina supporting better scoring function and high-performance energy minimization [1]. In this article, we are going to install SMINA on...
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...
![[Tutorial] How to install Autodock Vina on MacOS?](https://img.bioinformaticsreview.com/uploads/2022/01/01165858/adv-mac-400x240.jpg)
![[Tutorial] How to install Autodock Vina on MacOS?](https://img.bioinformaticsreview.com/uploads/2022/01/01165858/adv-mac-80x80.jpg)
We have provided several articles on Vina [1] installation on Ubuntu including video tutorials. In this article, we are going to install Autodock Vina on Mac...
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...
![[Tutorial] How to perform docking of zinc metalloproteins using Autodock Vina?](https://bioinformaticsreview.com/wp-content/uploads/2021/10/zn-400x240.jpg)
![[Tutorial] How to perform docking of zinc metalloproteins using Autodock Vina?](https://bioinformaticsreview.com/wp-content/uploads/2021/10/zn-80x80.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...
![[Tutorial] Installing Autodock-Vina-develop package on Ubuntu.](https://bioinformaticsreview.com/wp-content/uploads/2021/10/adv-dev-400x240.jpg)
![[Tutorial] Installing Autodock-Vina-develop package on Ubuntu.](https://bioinformaticsreview.com/wp-content/uploads/2021/10/adv-dev-80x80.jpg)
Autodock-Vina-develop [1,2] package offers some extra features in addition to Autodock Vina. It includes AutoDock 4.2 and Vina scoring functions, a batch mode for virtual screening...
Autodock Vina [1] is one of the most widely used bioinformatics software for computational docking. For beginners and those who are new to the field of...
We have previously provided an article on the installation of the Raccoon2 plugin on Ubuntu. In this article, we are going to install Raccoon2 [1] on...
In one of our previous posts, we provided a Python script for the virtual screening analysis of Autodock Vina. This script analyzes all log files obtained...
This is a demonstration video of our previously mentioned Python script (vs_analysis.py) for virtual screening results analysis of Autodock Vina.
The output files obtained as a result of virtual screening (VS) using Autodock Vina may be large in number. It is difficult or quite impossible to...
If you are a beginner in the field of bioinformatics, you must have heard of the term “virtual screening” (VS). In this article, we will discuss...
Researchers working in the field of bioinformatics are well-aware of the word “coordinates” in the context of docking. However, it could be a little difficult to...
Flexible docking is when some residues in the interacting bodies (receptor and ligand) are kept flexible leaving the rest of the part rigid. In this article,...
We have provided several tutorials on Autodock Vina software [1] including its installation on Ubuntu. This article is a guide to installing Autodock Vina on Windows...
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...
This is a video tutorial of our existing article.
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...
