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Issue No. 06 - Nov.-Dec. (2013 vol. 15)
ISSN: 1521-9615
pp: 64-72
Denis Navarro , Univ. of Zaragoza, Zaragoza, Spain
Oscar Lucia , Univ. of Zaragoza, Zaragoza, Spain
Jose M. Gil-Narvion , Univ. of Zaragoza, Zaragoza, Spain
Oscar Jimenez , Univ. of Zaragoza, Zaragoza, Spain
ABSTRACT
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,special-purpose hardware, 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
CITATION
Denis Navarro, Oscar Lucia, Jose M. Gil-Narvion, Oscar Jimenez, "FPGA-Based Virtual Screening Acceleration of Rigid-Molecule Docking", Computing in Science & Engineering, vol. 15, no. , pp. 64-72, Nov.-Dec. 2013, doi:10.1109/MCSE.2012.88
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