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    JCC
    2011
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    Paths to which the nudged elastic band converges
    12 years 11 months ago
    Paths to which the nudged elastic band converges
    Download  theory.cm.utexas.edu
    Daniel Sheppard, Graeme Henkelman
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    JCC
    2011
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    Rapid communication reply to comment on: "Fast determination of the optimal rotational matrix for macromolecular superpositions"
    12 years 11 months ago
    Rapid communication reply to comment on: "Fast determination of the optimal rotational matrix for macromolecular superpositions"
    Download  theobald.brandeis.edu
    Pu Liu, Dimitris K. Agrafiotis, Douglas L. Theobal...
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    JCC
    2011
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    Nucleic acid sequence design via efficient ensemble defect optimization
    12 years 11 months ago
    Nucleic acid sequence design via efficient ensemble defect optimization
    Download  www.che.caltech.edu
    Joseph N. Zadeh, Brian R. Wolfe, Niles A. Pierce
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    JCC
    2011
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    Multipole electrostatics in hydration free energy calculations
    12 years 11 months ago
    Multipole electrostatics in hydration free energy calculations
    Download  dasher.wustl.edu
    Yue Shi, Chuanjie Wu, Jay W. Ponder, Pengyu Ren
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    JCC
    2011
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    Spin-driven activation of dioxygen in various metalloenzymes and their inspired models
    12 years 11 months ago
    Spin-driven activation of dioxygen in various metalloenzymes and their inspired models
    Download  www.lct.jussieu.fr
    Aurélien de la Lande, Dennis R. Salahub, Ja...
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