FastGrid -- The Accelerated Computation of Potential Maps for Molecular Docking

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Authors	OLŠÁK Marek FILIPOVIČ Jiří PROKOP Martin
Year of publication	2009
Type	Software
MU Faculty or unit	Faculty of Science
web	http://code.google.com/p/fastgrid/
Description	FastGrid is a fork of AutoGrid, which computes grid maps of interaction energies for various atom types around a macromolecule. These grid maps are then used by AutoDock docking calculations to determine the total interaction energy for a ligand with a macromolecule. FastGrid is meant to be a replacement of AutoGrid, having the same behavior as AutoGrid 4.2.1, and being more than 100x faster depending on a molecule and grid map size.
Related projects:	Proteins in metabolism and interaction of organisms with the environment Highly Parallel and Distributed Computing Systems