A simple and consistent quantum‐chemical fragmentation scheme for proteins that includes two‐body contributions
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DOI: 10.1002/jcc.27114
Abstract: The Molecular Fractionation with Conjugate Caps (MFCC) method is a popular fragmentation method for the quantum‐chemical treatment of proteins. However, it does not account for interactions between the amino acid fragments, such as intramolecular hydrogen… read more here.
Keywords: fragmentation scheme; fragmentation; scheme; quantum chemical ... See more keywords