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...
| Main Authors: | , , , , |
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| Format: | Article |
| Published: |
Royal Society of Chemistry
2014
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| Online Access: | https://eprints.nottingham.ac.uk/29534/ |