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"Message passing interface and multithreading hybrid for parallel molecular ..."

Xiaohua Zhang, Sergio Ernesto Wong, Felice C. Lightstone (2013)

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DOI: 10.1002/JCC.23214

access: closed

type: Journal Article

metadata version: 2023-08-31

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Xiaohua Zhang, Sergio Ernesto Wong, Felice C. Lightstone:
Message passing interface and multithreading hybrid for parallel molecular docking of large databases on petascale high performance computing machines. J. Comput. Chem. 34(11): 915-927 (2013)

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