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A Fast 3 x N Matrix Multiply Routine for Calculation of Protein RMSD

bioRxiv

Sep 2, 2014

Imran S. HaqueVijay S. Pande

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Abstract

The bottleneck for the rapid calculation of the root-mean-square deviation in atomic coordinates (RMSD) between pairs of protein structures for large numbers of conformations is the evaluation of a (3xN) x (Nx3) matrix product over conformation pairs. Here we describe two matrix multipl...read more

Mentioned in this Paper

Viral Structural Proteins
Evaluation
Bnk protein, Drosophila
Small Molecule Libraries
Plant Roots
Extracellular Matrix
Computed (Procedure)
9
4
Paper Details
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  • A Fast 3 x N Matrix Multiply Routine for Calculation of Protein RMSD

    bioRxiv

    Sep 2, 2014

    Imran S. HaqueVijay S. Pande

    PMID: 990008631

    DOI: 10.1101/008631

    Abstract

    The bottleneck for the rapid calculation of the root-mean-square deviation in atomic coordinates (RMSD) between pairs of protein structures for large numbers of conformations is the evaluation of a (3xN) x (Nx3) matrix product over conformation pairs. Here we describe two matrix multipl...read more

    Mentioned in this Paper

    Viral Structural Proteins
    Evaluation
    Bnk protein, Drosophila
    Small Molecule Libraries
    Plant Roots
    9
    4
    Paper Details
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      We're still populating references for this paper, please check back later.
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