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FPGA-Based Virtual Screening Acceleration of Rigid-Molecule Docking
Nov.-Dec. 2013 (vol. 15 no. 6)
pp. 64-72
Denis Navarro, University of Zaragoza
Oscar Lucia, University of Zaragoza
Jose M. Gil-Narvion, University of Zaragoza
Oscar Jimenez, University of Zaragoza
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.
Index Terms:
Field programmable gate arrays,Acceleration,Computer architecture,Signal processing algorithms,Databases,Virtual environments,Three-dimensional displays,scientific computing,hardware description languages,algorithms implemented in hardware,special-purpose hardware
Citation:
Denis Navarro, Oscar Lucia, Jose M. Gil-Narvion, Oscar Jimenez, "FPGA-Based Virtual Screening Acceleration of Rigid-Molecule Docking," Computing in Science and Engineering, vol. 15, no. 6, pp. 64-72, Nov.-Dec. 2013, doi:10.1109/MCSE.2012.88
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