ArticleBiochimica et biophysica acta2012
Comparative molecular dynamics simulations of the antimicrobial peptide CM15 in model lipid bilayers.
Article in Biochimica et biophysica acta, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 38 papers.
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Who cites it
38 citing papers in PubMed.
- Guidelines for Comparing Circular Dichroism Spectroscopy and Molecular Dynamics Simulations for Biomolecules.Chemphyschem : a European journal of chemical physics and physical chemistry · 2026Article
- Molecular Dynamics Investigation of Lipid-Specific Interactions with a Fusion Peptide.Biomolecules · 2024Article
- Peptide Power: Mechanistic Insights into the Effect of Mitochondria-Targeted Tetrapeptides on Membrane Electrostatics from Molecular Simulations.Molecular pharmaceutics · 2023Article
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- Adsorption/Desorption of Cationic-Hydrophobic Peptides on Zwitterionic Lipid Bilayer Is Associated with the Possibility of Proton Transfer.Antibiotics (Basel, Switzerland) · 2023Article
- Molecular Dynamics Simulation of Antimicrobial Peptide CM15 inIranian journal of biotechnology · 2023Article
- Removal and identification of external protein corona members from RBC-derived extracellular vesicles by surface manipulating antimicrobial peptides.Journal of extracellular biology · 2023Article
- Application of a deep generative model produces novel and diverse functional peptides against microbial resistance.Computational and structural biotechnology journal · 2023Article
- Organizations of melittin peptides after spontaneous penetration into cell membranes.Biophysical journal · 2022Article
- Identification of Bacterial Membrane Selectivity of Romo1-Derived Antimicrobial Peptide AMPR-22 via Molecular Dynamics.International journal of molecular sciences · 2022Article
- Helical structure motifs made searchable for functional peptide design.Nature communications · 2022Article
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- Prediction of amphipathic helix-membrane interactions with Rosetta.PLoS computational biology · 2021Article
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- Design, Screening, and Testing of Non-Rational Peptide Libraries with Antimicrobial Activity: In Silico and Experimental Approaches.Antibiotics (Basel, Switzerland) · 2020Review
- Self-Association of Antimicrobial Peptides: A Molecular Dynamics Simulation Study on Bombinin.International journal of molecular sciences · 2019Article
- Lipid Head Group Parameterization for GROMOS 54A8: A Consistent Approach with Protein Force Field Description.Journal of chemical theory and computation · 2019Article
- Studies on the Interaction of Alyteserin 1c Peptide and Its Cationic Analogue with Model Membranes Imitating Mammalian and Bacterial Membranes.Biomolecules · 2019Article
- Lipid Bilayer Composition Influences the Activity of the Antimicrobial Peptide Dermcidin Channel.Biophysical journal · 2019Article
- Molecular Dynamics Investigation into the Effect of Zinc(II) on the Structure and Membrane Interactions of the Antimicrobial Peptide Clavanin A.The journal of physical chemistry. B · 2019Article
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Authors and funding
4 authors.
Funding
Abstract
We report altogether 3-μs molecular dynamics (MD) simulations of the antimicrobial peptide CM15 to systematically investigate its interaction with two model lipid bilayers, pure POPC and mixed POPG:POPC (1:2). Starting with either an α-helical or a random-coil conformation, CM15 is found to insert into both bilayers. Peptide-lipid interaction is stronger with the anionic POPG:POPC than the zwitterionic POPC, which is largely attributed to the electrostatic attraction between CM15 and the negatively charged POPG. Simulations initiated with CM15 as a random coil allowed us to study peptide folding at the lipid-water interface. Interestingly, CM15 folding appears to be faster in POPC than POPG:POPC, which may be explained by a lower activation energy barrier of structural rearrangement in the former system. Our data also suggest that compared with the random-coil conformation, CM15 in a pre-folded α-helix has significantly reduced interactions with the lipids, indicating that peptide initial structures may bias the simulation results considerably on the 100-ns timescale. The implications of this result should be considered when preparing and interpreting future AMP simulations.
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