Molecular docking can be performed using a variety of software tools. Freely available open-source options include AutoDock, Vina, and PyRx. Additionally, several online servers now offer molecular docking services, where users simply upload their protein and ligand PDB files to obtain results. For more advanced and comprehensive docking, Schrödinger's Glide is considered one of the top paid software options in the field.

To answer the second part of the question, you can easily learn by watching YouTube tutorials and reading the documentation specific to the software you're using. For example, to perform docking using AutoDock Vina, you can start by installing the software, reading through its documentation, and downloading your chosen protein and ligand files. Then, follow along with a tutorial video to practice and refine your skills with Vina.

@Shikha Kushwah Thank you so much.

Use MultiDock Screening Tool