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  • Parallel-ProBiS : fast parallel algorithm for local structural comparison of protein structures and binding sites
    Konc, Janez ...
    The ProBiS algorithm performs a local structural comparison of the query protein surface against the nonredundant database of protein structures. It finds proteins that have binding sites in common ... with the query protein. Here,we present a new parallelized algorithm, Parallel-ProBiS, for detecting similar binding sites on clusters of computers. The obtained speedups of the parallel ProBiS scale almost ideally with the number of computing cores up to about 64 computing cores. Scaling is better for larger than for smaller query proteins. For a protein with almost 600 amino acids, the maximum speedup of 180 was achieved on two interconnected clusters with 248 computing cores.
    Vir: Journal of computational chemistry. - ISSN 0192-8651 (Vol. 33, issue 27, 2012, str. 2199-2203)
    Vrsta gradiva - članek, sestavni del
    Leto - 2012
    Jezik - angleški
    COBISS.SI-ID - 4993050

    Povezava(-e):

    http://onlinelibrary.wiley.com/doi/10.1002/jcc.23048/abstract
    DOI

vir: Journal of computational chemistry. - ISSN 0192-8651 (Vol. 33, issue 27, 2012, str. 2199-2203)
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