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, Wiley, 2017, 38 (10), pp.659-668.
⟨10.1002/jcc.24723⟩.
⟨hal-02267741⟩