Automated parameterization of biomolecular force fields from QM/MM simulations through force matching

Maurer, P.Laio, A.Rothlisberger, U.2007-06-052007-06-052007-06-05200710.1021/ct600284fhttps://infoscience.epfl.ch/handle/20.500.14299/7556WOS:000244855300025Automated parameterization of biomolecular force fields from QM/MM simulations through force matchingtext::journal::journal article::research article