Metadata-Version: 1.1
Name: OpenDiscovery
Version: 2.0.4
Summary: Computational Drug Discovery Software
Home-page: https://github.com/iamgp/OpenDiscovery
Author: Gareth Price
Author-email: gareth.price@warwick.ac.uk
License: GPL
Description: Open Discovery is a suite of programs that use Open Source or freely available tools to dock a library of chemical compounds against a receptor protein. In a (currently submitted) paper in the Journal ofChemical Education, we outline the usefulness of having anuncomplicated, free-to-use protocol to accomplish a task that has beenthe subject of academic and commercial interest for decades. We alsohighlight the gaps in open source tools around preparing protein -ligand complexes for molecular simulation, an area we expect to developin the future.
Keywords: OpenDiscovery
Platform: UNKNOWN
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Developers
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: BSD License
Classifier: Natural Language :: English
Classifier: Programming Language :: Python :: 2.7
