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Transmembrane self-assembled cyclic peptide nanotubes based on α‐residues and cyclic δ‐amino acids: a computational study

Authors: Blanco-González, Alexandre; Calvelo, Martín; F. Garrido, Pablo; García-Fandino, Rebeca; Piñeiro, Ángel; Granja, Juan; Amorín, Manuel;

Transmembrane self-assembled cyclic peptide nanotubes based on α‐residues and cyclic δ‐amino acids: a computational study

Abstract

This work was supported by the Spanish Agencia Estatal de Investigación (AEI) and the ERDF (PID2019-111126RB-100, RTI2018-098795-A-I00, and PID2019-111327GB-I00) and by the Xunta de Galicia and the ERDF (ED431F 2020/05, ED431C 2017/25, and Centro singular de investigación de Galicia accreditation 2016-2019, ED431G/09). M.C. thanks Xunta de Galicia for a predoctoral fellowship (ED481A-2017/ 068). R.G.-F. thanks Ministerio de Ciencia, Innovación y Universidades for a "Ramón y Cajal" contract (RYC-2016-20335). P. F. G. thanks the Spanish Ministry of Economy and Competitiveness and the EuropeanSocial Fund for his predoctoral research grant, reference BES-2016-076761. All calculations were carried out at the Centro de Supercomputación de Galicia

In this work, we study peptide nanotubes comprised of α-amino acids and cyclic δ‐amino acids. Their stability when inserted in a lipid bilayer, as well as their utility as transmembrane channels is assesed, in order to elucidate their potential application as synthetic transmembrane channels; via Molecular Dynamics simulations.

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Keywords

ion transport across lipid membrane ; confined water ; molecular dynamics simulation ; transmembrane channels ; Chemistry ; self-assembling cyclic peptide nanotubes, Peptide Nanotubes, Cyclic Peptides, Lipid Bilayers, Molecular Dynamics, Transmembrane Transporters

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popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
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influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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