ArticleBiophysical journal2003
Molecular dynamics investigation of an oriented cyclic peptide nanotube in DMPC bilayers.
Article in Biophysical journal, 2003. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers.
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Who cites it
15 citing papers in PubMed, 91 citations in OpenAlex.
- Molecular Dynamics Simulations of Transmembrane Cyclic Peptide Nanotubes Using Classical Force Fields, Hydrogen Mass Repartitioning, and Hydrogen Isotope Exchange Methods: A Critical Comparison.International journal of molecular sciences · 2022Article
- Blockade of GRTH/DDX25 Phosphorylation by Cyclic Peptides Provides an Avenue for Developing a Nonhormonal Male Contraceptive.Journal of medicinal chemistry · 2021Article
- Article
- Biomimetic Hybrid Systems for Tissue Engineering.Biomimetics (Basel, Switzerland) · 2020Review
- Hydrogels for Biomedical Applications: Cellulose, Chitosan, and Protein/Peptide Derivatives.Gels (Basel, Switzerland) · 2017Review
- Molecular dynamics study of Na⁺ transportation in a cyclic peptide nanotube and its influences on water behaviors in the tube.Journal of molecular modeling · 2013Article
- Modeling and simulation of ion channels.Chemical reviews · 2012Review
- Molecular insights on the cyclic peptide nanotube-mediated transportation of antitumor drug 5-fluorouracil.Molecular pharmaceutics · 2010Article
- Isolation, characterization, and stability of discretely-sized nanolipoprotein particles assembled with apolipophorin-III.PloS one · 2010Article
- Exploring Multidimensional Free Energy Landscapes Using Time-Dependent Biases on Collective Variables.Journal of chemical theory and computation · 2010Article
- Computational validation of protein nanotubes.Nano letters · 2009Article
- Determinants of water permeability through nanoscopic hydrophilic channels.Biophysical journal · 2009Article
- Structural and dynamical studies of all-trans and all-cis cyclo[(1R,3S)-gamma-Acc-Gly]3 peptides.Journal of molecular modeling · 2008Article
- Investigation of structures and properties of cyclic peptide nanotubes by experiment and molecular dynamics.Journal of computer-aided molecular design · 2008Article
- Membrane electroporation: a molecular dynamics simulation.Biophysical journal · 2005Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
3 authors at 2 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Nanotubes resulting from the self-assembly of cyclic peptides formed by eight alpha-amino acids and inserted into lipid bilayers have been shown to function as synthetic, integral transmembrane channels. A nanotube consisting of eight cyclo[(L-Trp-D-Leu)(3)-L-Gln-D-Leu] subunits, organized in an antiparallel, beta-sheetlike channel embedded in a hydrated dimyristoylphosphatidylcholine bilayer was investigated in an 8-ns molecular dynamics trajectory. This large-scale statistical simulation brings to light not only the atomic-level structural features of the synthetic channel, but also its dynamical properties. Overall, the nanotube conserves its hollow tubular structure. The calculation reproduces the tilt of the channel with respect to the normal of the bilayer, in reasonable agreement with experiment. The results show a dislocation of the nanotube indicative of a possible disassembly process that may influence the channel conduction. The dynamics of the water in the hollow tubular structure has been characterized, and the conductance of the channel has been estimated. Transport properties of the peptide nanotube are discussed in comparison with other transporters.
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