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FPGA-Based Virtual Screening Acceleration of Rigid-Molecule Docking

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4 Author(s)
Navarro, D. ; Univ. of Zaragoza, Zaragoza, Spain ; Lucia, O. ; Gil-Narvion, J.M. ; Jimenez, O.

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.

Published in:

Computing in Science & Engineering  (Volume:15 ,  Issue: 6 )