Quantum-Chemical Quasi-Docking for Molecular Dynamics Calculations
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DOI: 10.3390/nano12020274
Abstract: The quantum quasi-docking procedure is used to compare the docking accuracies of two quantum-chemical semiempirical methods, namely, PM6-D3H4X and PM7. Quantum quasi-docking is an approximation to quantum docking. In quantum docking, it is necessary to… read more here.
Keywords: cosmo; quantum chemical; quasi docking; pm6 d3h4x ... See more keywords