ReviewEuropean biophysics journal : EBJ2007
Acyl chain order parameter profiles in phospholipid bilayers: computation from molecular dynamics simulations and comparison with 2H NMR experiments.
Review in European biophysics journal : EBJ, 2007. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 99 papers.
What it found
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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.
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Who cites it
99 citing papers in PubMed.
- Molecular Insights into Caffeine Stacking, Partitioning, and Organization in DPPC Lipid Bilayers from Microseconds-Long Molecular Dynamics Simulations.International journal of molecular sciences · 2026Article
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- Investigating the Design of ssPalmO-Derived Lipid Nanoparticles for mRNA Delivery Applications Using Molecular Dynamics Simulations.ACS omega · 2025Article
- Distinct Structural Responses of Lipid Bilayers to Horizontal and Vertical Electric Fields.The journal of physical chemistry letters · 2025Article
- Atomistic modeling of lysophospholipids from the Campylobacter jejuni lipidome.Biophysical journal · 2025Article
- The interaction of small molecules with phospholipid membranes studied by solid-state NMR and molecular dynamics simulation.Biophysical reviews · 2025Review
- Computational Insights into Membrane Disruption by Cell-Penetrating Peptides.Journal of chemical information and modeling · 2025Article
- Effects of Lipid Headgroups on the Mechanical Properties and In Vitro Cellular Internalization of Liposomes.Langmuir : the ACS journal of surfaces and colloids · 2025Article
- Elucidating Antibiotic Permeation through theJournal of chemical information and modeling · 2024Article
- Simulating Bacterial Membrane Models at the Atomistic Level: A Force Field Comparison.Journal of chemical theory and computation · 2024Article
- The phase behavior of skin-barrier lipids: A combined approach of experiments and simulations.Biophysical journal · 2024Article
- Protein-free domains in native and ferroptosis-driven oxidized cell membranes: a molecular dynamics study of biophysical properties and doxorubicin uptake.Frontiers in molecular biosciences · 2024Article
- Molecular dynamics simulation of apolipoprotein E3 lipid nanodiscs.Biochimica et biophysica acta. Biomembranes · 2024Article
- Integration of an LPAR1 Antagonist into Liposomes Enhances Their Internalization and Tumor Accumulation in an Animal Model of Human Metastatic Breast Cancer.Molecular pharmaceutics · 2023Article
- Article
- Structural Phenomena in a Vesicle Membrane Obtained through an Evolution Experiment: A Study Based on MD Simulations.Life (Basel, Switzerland) · 2023Article
- The effect of metalation on antimicrobial piscidins imbedded in normal and oxidized lipid bilayers.RSC chemical biology · 2023Article
- Characterizing the Interactions of Cell-Membrane-Disrupting Peptides with Lipid-Functionalized Single-Walled Carbon Nanotubes.ACS applied materials & interfaces · 2023Article
- Molecular simulations and NMR reveal how lipid fluctuations affect membrane mechanics.Biophysical journal · 2023Article
39 more citing papers are in PubMed but not listed here.
Corrections and comments
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Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Order parameters from deuterium NMR are often used to validate or calibrate molecular dynamics simulations. This paper gives a short overview of the literature in which experimental order parameters from (2)H NMR are compared to those calculated from MD simulations. The different ways in which order parameters from experiment are used to calibrate and validate simulations are reviewed. In the second part of this review, a case study of cholesterol in a DMPC bilayer is presented. It is concluded that the agreement between experimental data and simulation is favorable in the hydrophobic region of the membrane, for both the phospholipids and cholesterol. In the interfacial region the agreement is less satisfactory, probably because of the high polarity of this region which makes the correct computation of the electrostatics more complex.
Indexed as
Identifiers
17598103What 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.