ArticleLangmuir : the ACS journal of surfaces and colloids2015
Investigating Hydrophilic Pores in Model Lipid Bilayers Using Molecular Simulations: Correlating Bilayer Properties with Pore-Formation Thermodynamics.
Article in Langmuir : the ACS journal of surfaces and colloids, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 19 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
19 citing papers in PubMed.
- Electroporation in lipid vesicles by varying PEG-grafted lipids in their membranes: an experimental and simulation study.RSC advances · 2025Article
- Understanding the selectivityFrontiers in bioinformatics · 2025Article
- Bidirectional Modulation on Electroporation Induced by Membrane Tension Under the Electric Field.ACS omega · 2024Article
- Effect of Force Field Resolution on Membrane Mechanical Response and Mechanoporation Damage under Deformation Simulations.Molecular biotechnology · 2024Article
- Recent Advances of Studies on Cell-Penetrating Peptides Based on Molecular Dynamics Simulations.Cells · 2022Review
- All-atom molecular dynamics simulations of the combined effects of different phospholipids and cholesterol content on electroporation.RSC advances · 2022Article
- Identification of electroporation sites in the complex lipid organization of the plasma membrane.eLife · 2022Article
- Mechanistic Understanding from Molecular Dynamics in Pharmaceutical Research 2: Lipid Membrane in Drug Design.Pharmaceuticals (Basel, Switzerland) · 2021Review
- Influence of Temperature on Molecular Adsorption and Transport at Liposome Surfaces Studied by Molecular Dynamics Simulations and Second Harmonic Generation Spectroscopy.The journal of physical chemistry. B · 2021Article
- Water Pores in Planar Lipid Bilayers at Fast and Slow Rise of Transmembrane Voltage.Membranes · 2021Article
- Mechanical Activation of MscL Revealed by a Locally Distributed Tension Molecular Dynamics Approach.Biophysical journal · 2021Article
- Free energy of hydrophilic and hydrophobic pores in lipid bilayers by free energy perturbation of a restraint.The Journal of chemical physics · 2020Article
- HAPPENN is a novel tool for hemolytic activity prediction for therapeutic peptides which employs neural networks.Scientific reports · 2020Article
- Coupling of Membrane Nanodomain Formation and Enhanced Electroporation near Phase Transition.Biophysical journal · 2019Article
- How Melittin Inserts into Cell Membrane: Conformational Changes, Inter-Peptide Cooperation, and Disturbance on the Membrane.Molecules (Basel, Switzerland) · 2019Review
- Arginine-rich cell-penetrating peptides induce membrane multilamellarity and subsequently enter via formation of a fusion pore.Proceedings of the National Academy of Sciences of the United States of America · 2018Article
- Fate of Liposomes in the Presence of Phospholipase C and D: From Atomic to Supramolecular Lipid Arrangement.ACS central science · 2018Article
- Coarse-grained simulations of hemolytic peptide δ-lysin interacting with a POPC bilayer.Biochimica et biophysica acta · 2016Article
- The Effect of Tethers on Artificial Cell Membranes: A Coarse-Grained Molecular Dynamics Study.PloS one · 2016Article
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.
Funding
Abstract
Cell-penetrating and antimicrobial peptides show a remarkable ability to translocate across physiological membranes. Along with factors such as electric-potential-induced perturbations of membrane structure and surface tension effects, experiments invoke porelike membrane configurations during the solute transfer process into vesicles and cells. The initiation and formation of pores are associated with a nontrivial free-energy cost, thus necessitating a consideration of the factors associated with pore formation and the attendant free energies. Because of experimental and modeling challenges related to the long time scales of the translocation process, we use umbrella sampling molecular dynamics simulations with a lipid-density-based order parameter to investigate membrane-pore-formation free energy employing Martini coarse-grained models. We investigate structure and thermodynamic features of the pore in 18 lipids spanning a range of headgroups, charge states, acyl chain lengths, and saturation. We probe the dependence of pore-formation barriers on the area per lipid, lipid bilayer thickness, and membrane bending rigidities in three different lipid classes. The pore-formation free energy in pure bilayers and peptide translocating scenarios are significantly coupled with bilayer thickness. Thicker bilayers require more reversible work to create pores. The pore-formation free energy is higher in peptide-lipid systems than in peptide-free lipid systems due to penalties to maintain the solvation of charged hydrophilic solutes within the membrane environment.
Indexed as
Identifiers
What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.