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In addition to a reduced number of CPUs being required to compute rigid docking, the introduction of the ZDOCK and ClusProt scoring functions allow any computer system that includes a single CPU and a GPU to be used for docking.
GeauxDock is a docking software which is sensible for the small-molecule binding site. It was also parlayed to operate on CPUs in library-wide-clustering setups such as DOCK 6.D, AutoDock4, ZDOCK, ClusPrit and many others. GeauxDock can perform rigid and semi-flexible docking for up to 2,000 small-molecule structures in a matter of seconds. It has a free binding site screening mode, adaptable all task classification and docking analysis is available in GeauxDock. Also, GeauxDock can be used in DOCK 6 to run full flexible docking by adjusting an additional parameter. GeauxDock was successfully applied to CAPRI-10 experiments and is of adjunct able for structure-based drug design.
GeauxDock was originally developed on a one-CPU computer and is now distributed as open-source software on the web. GeauxDock is used by hundreds of scientists around the world to both evaluate and design new leads.
Pinnacle Industries Inc. is a software development company based in San Francisco, CA. It was founded in March 1995 and is privately held. Some of the market sectors served by Pinnacle include pharmaceutical, medical devices, biotechnology, semiconductors and consumer products.
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