Docking

Docking is a mechanism to analyze the interaction of two or more molecular structures (i.e., receptor and ligand).

Latest Docking News

Video Tutorial: Fix broken Vina output in DS Visualizer.

This is a video tutorial on fixing the Vina docking output in…

Dr. Muniba Faiza

DockingAnalyzer.py: A New Python script to Identify Ligand Binding in Protein Pockets.

High-throughput virtual screening (HTVS) is a pivotal technique in drug discovery that…

Dr. Muniba Faiza

VS_Analysis: A Python package to perform post-virtual screening analysis

Virtual screening (VS) is a crucial aspect of bioinformatics. As you may…

Dr. Muniba Faiza

vs_interaction_analysis.py: Python script to perform post-virtual screening analysis

Analyzing the results of virtual screening (VS) performed with Autodock Vina can…

Dr. Muniba Faiza

[Tutorial] Performing docking using DockingPie plugin in PyMOL.

DockingPie is a PyMOL plugin to perform computational docking within PyMOL .…

Dr. Muniba Faiza

How to install the DockingPie plugin on PyMOL?

DockingPie is a plugin of PyMOL made to fulfill the purpose of…

Dr. Muniba Faiza

[Tutorial] Installing Pyrx on Windows.

Pyrx is another virtual screening software that also offers to perform docking…

Dr. Muniba Faiza

How to install Autodock4 on Ubuntu?

Autodock suite is used for docking small molecules . Recently, Autodock-GPU is…

Dr. Muniba Faiza

What values are considered as good or bad in computational docking?

After performing computational docking, a question that comes to mind most is…

Dr. Muniba Faiza

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…

Dr. Muniba Faiza

Virtual Screening using Autodock Vina: Frequently Asked Questions & Answers for Starters

Virtual Screening (VS) is one of the important techniques in bioinformatics. It…

Dr. Muniba Faiza

[Tutorial] How to perform docking of zinc metalloproteins using Autodock Vina?

Proteins containing zinc atoms are docked in a different way than that…

Dr. Muniba Faiza

How to generate config file for docking using Autodock Tools?

A configuration file is one of the required files for docking using…

Dr. Muniba Faiza

How to install Autodock on Ubuntu (Linux) with CUDA GPU support?

Autodock is most widely used for docking. To accelerate the docking process,…

Dr. Muniba Faiza

Autodock Vina: Uses & Applications

Autodock Vina is one of the most widely used bioinformatics software for…

Tariq Abdullah

How to perform virtual screening using Pyrx?

Pyrx is a bioinformatics tool to perform virtual screening . We previously…

Dr. Muniba Faiza

How to perform metal ion-protein docking using idock?

Previously, we provided a tutorial on the installation of idock on Ubuntu…

Dr. Muniba Faiza

How to install idock on Ubuntu?

idock is a multithreaded software based on Autodock Vina. It is a…

Dr. Muniba Faiza

How to analyze HADDOCK results using Pymol script generated from PRODIGY?

In one of our previously published articles, we demonstrated protein-protein docking using…

Dr. Muniba Faiza

Installing PatchDock on Ubuntu (Linux)

PatchDock is a docking algorithm that is based on the shape complementarity…

Tariq Abdullah