Graph theory for automatic structural recognition in molecular dynamics simulations

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Journal articles
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Submitted on : Monday, February 4, 2019 - 4:50:22 PM
Last modification on : Wednesday, April 17, 2019 - 4:22:03 PM

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  • HAL Id : hal-02006601, version 1

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Sana Bougueroua, Riccardo Spezia, S. Pezzotti, Sandrine Vial, Franck Quessette, et al.. Graph theory for automatic structural recognition in molecular dynamics simulations. Journal of Chemical Physics, American Institute of Physics, 2018, 149 (18), pp.184102. ⟨hal-02006601⟩

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