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Journal Articles Journal of Computational Chemistry Year : 2017

Reaching multi-nanosecond timescales in combined QM/MM molecular dynamics simulations through parallel horsetail sampling

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hal-02267741 , version 1 (19-08-2019)

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Marilia Martins-Costa, Manuel Ruiz-Lopez. Reaching multi-nanosecond timescales in combined QM/MM molecular dynamics simulations through parallel horsetail sampling. Journal of Computational Chemistry, 2017, 38 (10), pp.659-668. ⟨10.1002/jcc.24723⟩. ⟨hal-02267741⟩
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