New CHARMM force field parameters for dehydrated amino acid residues, the key to lantibiotic molecular dynamics simulations

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New CHARMM force field parameters for dehydrated amino acid residues, the key to lantibiotic molecular dynamics simulations

Lantibiotics are an important class of naturally occurring antimicrobial peptides containing unusual dehydrated amino acid residues. In order to enable molecular dynamics simulations of lantibiotics, we have developed empirical force field parameters for dehydroalanine and dehydrobutyrine, which are...

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Bibliographic Details
Main Authors:	Turpin, Eleanor R., Mulholland, S., Teale, A.M., Bonev, B.B., Hirst, J.D.
Format:	Article
Published:	Royal Society of Chemistry 2014
Online Access:	https://eprints.nottingham.ac.uk/29534/

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