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A Molecular Dynamics Study of the Correlations between Solvent-Accessible Surface, Molecular Volume, and Folding State

✍ Scribed by Floriano, Wely B.; Domont, Gilberto B.; Nascimento, Marco A. C.


Book ID
127072765
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
402 KB
Volume
111
Category
Article
ISSN
0022-3654

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Early events in the folding of an amphip
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Folding of the capped LQQLLQQL-LQL peptide is investigated at the water-hexane interface by molecular dynamics simulations for 161.5 ns. Initially placed in the aqueous phase as a ␀-strand, the peptide rapidly adsorbs to the interface, where it adopts an amphipathic conformation. The marginal presen