Tunable Approximations to Control Time-to-Solution in an HPC Molecular Docking Mini-App
Tunable Approximations to Control Time-to-Solution in an HPC Molecular Docking Mini-App
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Ithaca: Cornell University Library, arXiv.org
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English
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Ithaca: Cornell University Library, arXiv.org
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The drug discovery process involves several tasks to be performed in vivo, in vitro and in silico. Molecular docking is a task typically performed in silico. It aims at finding the three-dimensional pose of a given molecule when it interacts with the target protein binding site. This task is often done for virtual screening a huge set of molecules...
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Tunable Approximations to Control Time-to-Solution in an HPC Molecular Docking Mini-App
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TN_cdi_proquest_journals_2169149680
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https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_proquest_journals_2169149680
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2331-8422
