Review on the QM/MM Methodologies and Their Application to Metalloproteins
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DOI: 10.3390/molecules27092660
Abstract: The multiscaling quantum mechanics/molecular mechanics (QM/MM) approach was introduced in 1976, while the extensive acceptance of this methodology started in the 1990s. The combination of QM/MM approach with molecular dynamics (MD) simulation, otherwise known as… read more here.
Keywords: methodology; methodologies application; application metalloproteins; review methodologies ... See more keywords