Molecular dynamics simulations for designing biomimetic pores based on internally functionalized self-assembling α,γ-peptide nanotubes

2015 ◽  
Vol 17 (43) ◽  
pp. 28586-28601 ◽  
Author(s):  
Martín Calvelo ◽  
Saulo Vázquez ◽  
Rebeca García-Fandiño
Keyword(s):  
Molecular Dynamics ◽  
Amino Acids ◽  
Molecular Dynamics Simulations ◽  
Lipid Bilayers ◽  
Peptide Nanotubes ◽  
Self Assembling ◽  
Self Assembled ◽  
Dynamics Simulations

Internally functionalized peptide nanotubes composed of α- and γ-amino acids self assembled in lipid bilayers are studied using Molecular Dynamics simulations, projecting a promising future for their use as biomimetic channels when properly innerderivatized.

Molecular dynamics simulations of rupture in lipid bilayers

2010 ◽  
Vol 235 (2) ◽  
pp. 181-188 ◽  
Author(s):  
Michael D Tomasini ◽  
Carlos Rinaldi ◽  
M Silvina Tomassone
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Lipid Bilayers ◽  
Dynamics Simulations
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