Bolnykh, ViacheslavOlsen, Jogvan Magnus HaugaardMeloni, SimoneBircher, Martin P.Ippoliti, EmilianoCarloni, PaoloRothlisberger, Ursula2020-04-172020-04-172020-04-172020-03-2010.3389/fmolb.2020.00045https://infoscience.epfl.ch/handle/20.500.14299/168230WOS:000523496100001Biochemistry & Molecular Biologymolecular dynamicsqmmmdfthpcmultiscale simulationscomputational chemistrydynamicsmechanismMiMiC: Multiscale Modeling in Computational Chemistrytext::journal::journal article::research article