• RI - Unifesp
    • Documentos
    • Tutoriais
    • Perguntas frequentes
    • Atendimento
    • Equipe
    • português (Brasil)
    • English
    • español
  • Sobre
    • RI Unifesp
    • Documentos
    • Tutoriais
    • Perguntas frequentes
    • Atendimento
    • Equipe
  • English 
    • português (Brasil)
    • English
    • español
    • português (Brasil)
    • English
    • español
  • Login
View Item 
  •   DSpace Home
  • UNIFESP
  • Unifesp - Em verificação
  • Em verificação - Geral
  • View Item
  •   DSpace Home
  • UNIFESP
  • Unifesp - Em verificação
  • Em verificação - Geral
  • View Item
JavaScript is disabled for your browser. Some features of this site may not work without it.

Molecular Dynamics Study of Surfactant-Like Peptide Based Nanostructures

Thumbnail
Date
2014-10-23
Author
Colherinhas, Guilherme
Fileti, Eudes [UNIFESP]
Type
Artigo
ISSN
1520-6106
Is part of
Journal of Physical Chemistry B
DOI
10.1021/jp5082593
Metadata
Show full item record
Abstract
Surfactant-like peptide (SLP) based nanostructures are investigated using all-atomistic molecular dynamics (MD) simulations. We report structure properties of nanostructures belonging to the A(N)K peptide group. in particular, the mathematical models for the two A(3)K membranes, A(6)K nanotube, and A(9)K nanorod were developed. Our MD simulation results are consistent with the experimental data, indicating that A(3)K membranes are stable in two different configurations: (1) SLPs are tilted relative to the normal membrane plane; (2) SLPs are interdigitated. the former configuration is energetically more stable. the cylindrical nanostructures feature a certain order of the A6K peptides. in turn, the A9K nanorod does not exhibit any long-range ordering. Both nanotube and nanorod structure contain large amounts of water inside. Consequently, these nanostructures behave similar to hydrogels. This property may be important in the context of biotechnology. Binding energy analysis-in terms of Coulomb and van der Waals contributions-unveils an increase as the peptide size increases. the electrostatic interaction constitutes 70-75% of the noncovalent attraction energy between SLPs. the nanotubular structures are notably stable, confirming that A(6)K peptides preferentially form nanotubes and A(9)K peptides preferentially form nanorods.
Citation
Journal of Physical Chemistry B. Washington: Amer Chemical Soc, v. 118, n. 42, p. 12215-12222, 2014.
Sponsorship
Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
URI
http://repositorio.unifesp.br/handle/11600/38340
Collections
  • Em verificação - Geral [10999]

DSpace software copyright © 2002-2016  DuraSpace
Contact Us
Theme by 
Atmire NV
 

 

Browse

All of DSpaceCommunities & CollectionsBy Issue DateAuthorsTitlesSubjectsBy Submit DateThis CollectionBy Issue DateAuthorsTitlesSubjectsBy Submit Date

My Account

Login

Statistics

View Usage Statistics

DSpace software copyright © 2002-2016  DuraSpace
Contact Us
Theme by 
Atmire NV