PyRx

PyRx is a software developed by The Scripps Research Institute for computational drug discovery tasks. It is designed for molecular docking simulations, virtual screening, and protein-ligand interaction analysis.

The software allows the user to import or build a protein or ligand and run the appropriate simulation. PyRx also includes a wide variety of tools for data visualization and analysis to assist in lead optimization.

PyRx's interface is user-friendly, making it an accessible tool for researchers and scientists with little experience in computational biology. Its open-source nature allows users to modify the software to fit their specific needs.

• PyRx is designed to be compatible with Windows, Mac, and Linux operating systems.
• The software is free for academic use and available for download from The Scripps Research Institute's website.

PyRx is a valuable software tool for drug discovery researchers looking to employ computational methods in their work. Its ease of use and open-source nature make it an accessible option for those new to the field.