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jcc 2011
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Paths to which the nudged elastic band converges
13 years 3 months ago
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theory.cm.utexas.edu
Daniel Sheppard, Graeme Henkelman
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Rapid communication reply to comment on: "Fast determination of the optimal rotational matrix for macromolecular superpositions"
13 years 3 months ago
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theobald.brandeis.edu
Pu Liu, Dimitris K. Agrafiotis, Douglas L. Theobal...
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Nucleic acid sequence design via efficient ensemble defect optimization
13 years 3 months ago
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www.che.caltech.edu
Joseph N. Zadeh, Brian R. Wolfe, Niles A. Pierce
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Multipole electrostatics in hydration free energy calculations
13 years 3 months ago
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dasher.wustl.edu
Yue Shi, Chuanjie Wu, Jay W. Ponder, Pengyu Ren
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Spin-driven activation of dioxygen in various metalloenzymes and their inspired models
13 years 3 months ago
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www.lct.jussieu.fr
Aurélien de la Lande, Dennis R. Salahub, Ja...
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