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

Author:

Calvelo Martín12345,Vázquez Saulo62345,García-Fandiño Rebeca12345

Affiliation:

1. Department of Organic Chemistry

2. Center for Research in Biological Chemistry and Molecular Materials

3. Campus Vida

4. Santiago de Compostela University

5. E-15782 Santiago de Compostela

6. Department of Physical Chemistry

Abstract

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.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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