Effects of mutations on the C-terminus of protegrin-1: a molecular dynamics simulation study
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چکیده
Molecular Simulation Publication details, including instructions for authors and subscription information: http://www.informaworld.com/smpp/title~content=t713644482 Effects of mutations on the C-terminus of protegrin-1: a molecular dynamics simulation study A. A. Langham a; Y. N. Kaznessis b a Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, MN, USA b Digital Technology Center, University of Minnesota, Minneapolis, MN, USA
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Molecular dynamics simulations of three protegrin-type antimicrobial peptides: interplay between charges at the termini, β-sheet structure and amphiphilic interactions.
We have carried out molecular dynamics simulations of the naturally occurring protegrin PG-1 peptide and two of its mutants, PC-9 and PC-13 in the presence of a dodecyl-phosphocholine (DPC) micelle. The effects of mutations that disrupt the β-sheet structure in the case of PC-9 and reduce the charge at the C-terminus in the case of PC-13 are analyzed. It is found that the surface-bound conforma...
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