ArticleBiophysical journal2001
Dynamical properties of a hydrated lipid bilayer from a multinanosecond molecular dynamics simulation.
Article in Biophysical journal, 2001. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 32 papers.
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Who cites it
32 citing papers in PubMed.
- Insights into the Possible Impact of PFAS on Phosphatidylcholine Metabolism and Membranes through Molecular Dynamics Simulations.ACS environmental Au · 2026Article
- Probing the Hydrophobic Region of a Lipid Bilayer at Specific Depths Using Vibrational Spectroscopy.Journal of the American Chemical Society · 2023Article
- Lipid packing in biological membranes governs protein localization and membrane permeability.Biophysical journal · 2023Article
- Applications of Molecular Dynamics Simulation in Protein Study.Membranes · 2022Review
- Interfacial dynamics in inverted-headgroup lipid membranes.The Journal of chemical physics · 2022Article
- Shedding light on the structural properties of lipid bilayers using molecular dynamics simulation: a review study.RSC advances · 2019Review
- Experimental and theoretical studies of emodin interacting with a lipid bilayer of DMPC.Biophysical reviews · 2017Review
- Combination of anti-hypertensive drugs: a molecular dynamics simulation study.Journal of molecular modeling · 2017Article
- Investigating the Structure of Multicomponent Gel-Phase Lipid Bilayers.Biophysical journal · 2016Article
- Molecular dynamics simulations of biological membranes and membrane proteins using enhanced conformational sampling algorithms.Biochimica et biophysica acta · 2016Review
- Interaction between dimer interface residues of native and mutated SOD1 protein: a theoretical study.Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry · 2015Article
- Atomistic Monte Carlo simulation of lipid membranes.International journal of molecular sciences · 2014Review
- Conformational dynamics of dry lamellar crystals of sugar based lipids: an atomistic simulation study.PloS one · 2014Article
- Lipid nanotechnology.International journal of molecular sciences · 2013Article
- Molecular dynamics simulation of hydrated DPPC monolayers using charge equilibration force fields.Journal of computational chemistry · 2012Article
- Enhanced Lipid Diffusion and Mixing in Accelerated Molecular Dynamics.Journal of chemical theory and computation · 2011Article
- Charge equilibration force fields for lipid environments: applications to fully hydrated DPPC bilayers and DMPC-embedded gramicidin A.The journal of physical chemistry. B · 2009Article
- Modeling kinetics of subcellular disposition of chemicals.Chemical reviews · 2009Review
- Molecular dynamics simulations of a DMPC bilayer using nonadditive interaction models.Biophysical journal · 2009Article
- Simulations of Biomembranes and Water: Important Technical Aspects.Fluid phase equilibria · 2007Article
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3 authors.
Funding
Abstract
A fully hydrated dimiristoylphosphatidylcholine (DMPC) bilayer has been studied by a molecular dynamics simulation. The system, which consisted of 64 DMPC molecules and 1792 water molecules, was run in the NVE ensemble at a temperature of 333 K for a total of 10 ns. The resulting trajectory was used to analyze structural and dynamical quantities. The electron density, bilayer spacing, and order parameters (S(CD)), based on the AMBER forcefield and SPCE water model are in good agreement with previous calculations and experimental data. The simulation reveals evidence for two types of lateral diffusive behavior: cage hopping and that of a two-dimensional liquid. The lateral diffusion coefficient is 8 x 10(-8) cm(2)/s. We characterize the rotational motion, and find that the lipid tail rotation (D(rot_tail) = -0.04 rad(2)/ns) is slower then the head group rotation (D(rot_hg) = 2.2 rad(2)/ns), which is slower than the overall in plane (D(rot) = 3.2 rad(2)/ns) for the lipid molecule.
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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.