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    JCC
    2010
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    Q-DockLHM: Low-resolution refinement for ligand comparative modeling
    14 years 11 months ago
    Q-DockLHM: Low-resolution refinement for ligand comparative modeling
    Download  cssb.biology.gatech.edu
    Michal Brylinski, Jeffrey Skolnick
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    JCC
    2010
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    Transition state theory with Tsallis statistics
    14 years 11 months ago
    Transition state theory with Tsallis statistics
    Download  www.math.uni-leipzig.de
    Wolfgang Quapp, Alraune Zech
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    JCC
    2010
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    MOLCAS 7: The Next Generation
    14 years 11 months ago
    MOLCAS 7: The Next Generation
    Download  www.icmol.es
    Francesco Aquilante, Luca De Vico, Nicolas Ferr&ea...
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    JCC
    2010
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    A comment to the nudged elastic band method
    14 years 11 months ago
    A comment to the nudged elastic band method
    Download  www.math.uni-leipzig.de
    : The minimum energy path (MEP) is an important reaction path concept of theoretical chemistry, and the nudged elastic band (NEB) method with its many facets is a central method to...
    Wolfgang Quapp, Josep Maria Bofill
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    JCC
    2010
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    Fast determination of the optimal rotational matrix for macromolecular superpositions
    14 years 11 months ago
    Fast determination of the optimal rotational matrix for macromolecular superpositions
    Download  theobald.brandeis.edu
    : Finding the rotational matrix that minimizes the sum of squared deviations between two vectors is an important problem in bioinformatics and crystallography. Traditional algorith...
    Pu Liu, Dimitris K. Agrafiotis, Douglas L. Theobal...
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