FPGA-Based Virtual Screening Acceleration of Rigid-Molecule Docking

Denis Navarro,Oscar Lucía,Jose M. Gil-Narvion,Óscar Jiménez

Computing in Science and Engineering（2013）

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摘要

Virtual screening is a key process used to identify the most suitable molecule combinations when developing a new drug. Molecule docking is a commonly used method to analyze molecule structures and requires computing large databases to identify possible affinities between molecules. The special-purpose, field-programmable gate array (FPGA)-based Janus supercomputer accelerates the virtual screening process.

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关键词

molecular biophysics,scientific computing,field programmable gate arrays,acceleration,proteins,computer architecture,hardware description languages,databases

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