Resultados de búsqueda - Chetan Rupakheti

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    Statistical mechanics of polarizable force fields based on classical Drude oscillators with dynamical propagation by the dual-thermostat extended Lagrangian

    Statistical mechanics of polarizable force fields based on classical Drude oscillators with dynamical propagation by the dual-thermostat extended Lagrangian por Chetan Rupakheti, Guillaume Lamoureux, Alexander D. MacKerell, Benoı̂t Roux

    Publicado 2020
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  2. 2
    Further Optimization and Validation of the Classical Drude Polarizable Protein Force Field

    Further Optimization and Validation of the Classical Drude Polarizable Protein Force Field por Fang‐Yu Lin, Jing Huang, Poonam Pandey, Chetan Rupakheti, Jing Li, Benoı̂t Roux, Alexander D. MacKerell

    Publicado 2020
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