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[PubMed: 7868816] 460
Extension of MMFF94 using experimental data, additional computational data, and empirical rules

doi: 10.1016/j.cub.2014.03.034 9 MassartCHosteCVirionARufJDumontJEVan SandeJ

Cofactor parameters and topologies were obtained through ACPYPE 56 using the AM1-BCC method with net charge q = 1

doi:10.3390/diagnostics11040612 98
