Structure, stability, and hydration of a polypeptide in AOT reverse micelles.

نویسندگان

  • Stéphane Abel
  • Marcel Waks
  • Wladimir Urbach
  • Massimo Marchi
چکیده

In this communication, we provide theoretical evidence that the folded structure of a simple peptide, alanine zwitterionic octapeptide, or A8, unstable in solution, becomes stable in a reverse micelle (RM) of appropriate size. Our molecular dynamics simulations were carried out for realistic models of sodium 2-ethylhexylsulfosuccinate RM in isooctane, simulated for an extended period of time. For the RM of the smaller size, we find that a helical structure is stable for the whole length of the simulation. On the contrary, the peptide very quickly takes an extended structure in larger micelles.

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عنوان ژورنال:
  • Journal of the American Chemical Society

دوره 128 2  شماره 

صفحات  -

تاریخ انتشار 2006