Message Passing Interface and Multithreading Hybrid for Parallel Molecular Docking of Large Databases on Petascale High Performance Computing Machines

Zhang, X; Wong, S E; Lightstone, F C

doi:10.1002/jcc.23214

Title: Message Passing Interface and Multithreading Hybrid for Parallel Molecular Docking of Large Databases on Petascale High Performance Computing Machines

Journal Article · Mon Jul 30 00:00:00 EDT 2012 · Journal of Computational Chemistry

DOI:https://doi.org/10.1002/jcc.23214· OSTI ID:1227016

Zhang, X; Wong, S E; Lightstone, F C

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Research Organization:: Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

Sponsoring Organization:: USDOE

DOE Contract Number:: AC52-07NA27344

OSTI ID:: 1227016

Report Number(s):: LLNL-JRNL-568309

Journal Information:: Journal of Computational Chemistry, Vol. 34, Issue 11; ISSN 0192-8651

Publisher:: Wiley

Country of Publication:: United States

Language:: English

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