PyRx - Virtual Screening Tool
This Link applies to: Any version.
PyRx is a Virtual Screening software for Computational Drug Discovery that can be used to screen libraries of compounds against potential drug targets. PyRx enables Medicinal Chemists to run Virtual Screening form any platform and helps users in every step of this process - from data preparation to job submission and analysis of the results. While it is true that there is no magic button in the drug discovery process, PyRx wizard features easy-to-use user interface and chemical spreadsheet like functionality that makes it a valuable tool for Rational Drug Design.
by Sargis Dallakyan — last modified 2012-06-15 17:09 Molecular Graphics Laboratory, TSRI