Spatial and energetic-entropic decomposition of surface tension in lipid bilayers from molecular dynamics simulations

No abstract is available for this paper.

• Publication year

  2000

• Venue

  Journal of Chemical Physics

• Publication date

  2000-08-21

• Fields of study

  Physics, Materials Science, Chemistry

• Identifiers
  DOI 10.1063/1.1287423
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar

• No claims are published for this paper.

• No concepts are published for this paper.

• Effect of chain length and unsaturation on elasticity of lipid bilayers.

  2000cited by this paper
• Mesoscopic undulations and thickness fluctuations in lipid bilayers from molecular dynamics simulations.

  2000cited by this paper
• Mobility and elasticity of self-assembled membranes.

  1999cited by this paper
• Constant surface tension simulations of lipid bilayers: The sensitivity of surface areas and compressibilities

  1999cited by this paper
• Computer simulations of bilayer membranes - self-assembly and interfacial tension.

  1998cited by this paper
• A computer perspective of membranes: molecular dynamics studies of lipid bilayer systems.

  1997cited by this paper
• Molecular dynamics simulations of a fluid bilayer of dipalmitoylphosphatidylcholine at full hydration, constant pressure, and constant temperature.

  1997cited by this paper
• LINCS: A linear constraint solver for molecular simulations

  1997cited by this paper
• On simulating lipid bilayers with an applied surface tension: periodic boundary conditions and undulations.

  1996cited by this paper
• Lateral pressure in membranes.

  1996cited by this paper
• What is the surface tension of a lipid bilayer membrane?

  1996cited by this paper
• Molecular dynamics investigation of the structure of a fully hydrated gel-phase dipalmitoylphosphatidylcholine bilayer.

  1996cited by this paper
• GROMACS: A message-passing parallel molecular dynamics implementation

  1995cited by this paper
• Incorporation of surface tension into molecular dynamics simulation of an interface: a fluid phase lipid bilayer membrane.

  1995cited by this paper
• Renormalization of hydration forces by collective protrusion modes

  1994cited by this paper
• Lipid Membrane Structure and Dynamics Studied by All-Atom Molecular Dynamics Simulations of Hydrated Phospholipid Bilayers

  1993cited by this paper
• Measurement of chain tilt angle in fully hydrated bilayers of gel phase lecithins.

  1993cited by this paper
• A molecular model for lipid-protein interaction in membranes: the role of hydrophobic mismatch.

  1993cited by this paper
• Area/lipid of bilayers from NMR.

  1993cited by this paper
• Entropic forces between amphiphilic surfaces in liquids

  1992cited by this paper
• Entropy-driven tension in vesicle membranes and unbinding of adherent vesicles

  1991cited by this paper
• Physical properties of the fluid lipid-bilayer component of cell membranes: a perspective

  1991cited by this paper
• CD2 rocking modes as quantitative infrared probes of one-, two-, and three-bond conformational disorder in dipalmitoylphosphatidylcholine and dipalmitoylphosphatidylcholine/cholesterol mixtures.

  1991cited by this paper
• Simulations of lipid crystals: Characterization of potential energy functions and parameters for lecithin molecules

  1991cited by this paper
• Molecular theory of curvature elasticity in surfactant films

  1990cited by this paper
• Entropy-driven tension and bending elasticity in condensed-fluid membranes.

  1990cited by this paper
• Quantitative determination of hydrocarbon chain conformational order in bilayers of saturated phosphatidylcholines of various chain lengths by Fourier transform infrared spectroscopy.

  1990cited by this paper
• Biomembranes, R.B. Gennis, in: Molecular Structure and Function. Series: Springer Advanced Texts in Chemistry, 533 S.. Springer-Verlag, New York-Berlin-Heidelberg-London-Paris-Tokyo (1989), 142 Abb., zahlr. Tab. Preis: DM 98.

  1990cited by this paper
• Quantitative determination of conformational disorder in the acyl chains of phospholipid bilayers by infrared spectroscopy.

  1989cited by this paper
• Biomembranes: Molecular Structure and Function

  1988cited by this paper
• The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin.

  1988cited by this paper
• Constant pressure molecular dynamics for molecular systems

  1983cited by this paper
• Statistical mechanics of inhomogeneous fluids

  1982cited by this paper
• Effect of constraints on the dynamics of macromolecules

  1982cited by this paper
• The hydrophobic effect

  1980cited by this paper
• Theory of the Main Lipid Bilayer Phase Transition

  1980cited by this paper
• Hydrocarbon chain trans-gauche isomerization in phospholipid bilayer gel assemblies

  1977cited by this paper
• Numerical Integration of the Cartesian Equations of Motion of a System with Constraints: Molecular Dynamics of n-Alkanes

  1977cited by this paper
• Molecular dynamics of liquid n-butane near its boiling point

  1975cited by this paper
• Theory of biomembrane phase transitions

  1973cited by this paper
• Statistical mechanics of chain molecules

  1970cited by this paper
• Studies on lecithin-cholesterol-water interactions by differential scanning calorimetry and X-ray diffraction.

  1968cited by this paper
• Melting Transition and Communal Entropy for Hard Spheres

  1968cited by this paper
• The Statistical Mechanical Theory of Surface Tension

  1949cited by this paper
• Free Volume and Entropy in Condensed Systems III. Entropy in Binary Liquid Mixtures; Partial Molal Entropy in Dilute Solutions; Structure and Thermodynamics in Aqueous Electrolytes

  1945cited by this paper

• Molecular dynamics insights of organic and inorganic aerosol interactions with a DPPC-based lung surfactant membrane model

  2026cites this paper
• Microscopic elasticity from MD. II. Liquid interfaces and lipid membranes.

  2026cites this paper
• Role of range of interaction potential on structure and dynamics of a one-component system of particles interacting via Mie potential

  2024cites this paper
• Effects of Normal and Lateral Electric Fields on Membrane Mechanical Properties.

  2024cites this paper
• Alkanols Regulate the Fluidity of Phospholipid Bilayer in Accordance to Their Concentration and Polarity.

  2024cites this paper
• CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed

  2024cites this paper
• Ab Initio Characterization of the CO2-Water Interface Using Unsupervised Machine Learning for Dimensionality Reduction.

  2024cites this paper
• Molecular dynamics study of the mechanical properties of drug loaded model systems: A comparison of a polymersome with a bilayer.

  2023cites this paper
• Physicochemical characteristics of droplet interface bilayers.

  2022cites this paper
• The role of the lipid environment in the activity of G protein coupled receptors.

  2022cites this paper
• Effects of the repulsive and attractive forces on phase equilibrium and critical properties of two-dimensional non-conformal simple fluids

  2021cites this paper
• Recent Experimental Developments in Studying Passive Membrane Transport of Drug Molecules.

  2021cites this paper
• Hybrid particle-field molecular dynamics under constant pressure.

  2020cites this paper
• Insights into the mechanisms affecting water/oil interfacial tension as a function of salt types and concentrations

  2020cites this paper
• Breakdown of classical paradigms in relation to membrane structure and functions.

  2020cites this paper
• Automated determination of hybrid particle-field parameters by machine learning

  2020cites this paper
• A Comparative Look at Structure-Function Roles in Light-Harvesting Dynamics of Purple Bacteria

  2020cites this paper
• Supporting Information Molecular insight into micro-behaviors of n-decane and CO2 in mineral nanopores

  2020cites this paper
• Study of the insertion of a small symmetric star polymer into different phospholipid bilayers

  2020cites this paper
• Mechanical properties of bilayers containing sperm sphingomyelins and ceramides with very long-chain polyunsaturated fatty acids.

  2019cites this paper
• Effect of general anesthetics on the properties of lipid membranes of various compositions.

  2019cites this paper
• Coarse-grained simulation studies on the adsorption of polyelectrolyte complexes upon lipid membranes.

  2019cites this paper
• Local viscoelasticity at resin-metal interface analyzed with spatial-decomposition formula for relaxation modulus.

  2019cites this paper
• Study of the Lamellar and Micellar Phases of Pluronic F127: A Molecular Dynamics Approach

  2019cites this paper
• Distribution of mechanical stress in the Escherichia coli cell envelope.

  2018cites this paper
• Computer Modelling of the Lipid Matrix of Biomembranes

  2018cites this paper
• Impact of the lipid bilayer on energy transfer kinetics in the photosynthetic protein LH2† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sc04814a

  2018cites this paper
• Small Cationic Peptides: Influence of Charge on Their Antimicrobial Activity

  2018cites this paper
• Cholesterol Changes the Mechanisms of Aβ Peptide Binding to the DMPC Bilayer

  2017cites this paper
• Assessing gastric toxicity of xanthone derivatives of anti-inflammatory activity using simulation and experimental approaches.

  2017cites this paper
• Effects of Lithium and Other Monovalent Ions on Palmitoyl Oleoyl Phosphatidylcholine Bilayer.

  2017cites this paper
• A theoretical and computational study of the mechanics of biomembranes at multiple scales

  2017cites this paper
• The Biophysics of Cell Membranes

  2017cites this paper
• Lateral Pressure Profile and Free Volume Properties in Phospholipid Membranes Containing Anesthetics.

  2017cites this paper
• Principles of Mechanosensing at the Membrane Interface

  2017cites this paper
• Gramicidin A Channel Formation Induces Local Lipid Redistribution II: A 3D Continuum Elastic Model.

  2017cites this paper
• Membrane stress profiles from self-consistent field theory.

  2017cites this paper
• Geometric derivation of the microscopic stress: A covariant central force decomposition

  2016cites this paper
• Nonadditive Compositional Curvature Energetics of Lipid Bilayers.

  2016cites this paper
• A molecular dynamics study of local pressures and interfacial tensions of SDS micelles and dodecane droplets in water.

  2016cites this paper
• A Direct Two-Dimensional Pressure Formulation in Molecular Dynamics

  2016cites this paper
• Molecular Simulations of Protein-Induced Membrane Remodeling

  2016cites this paper
• Molecular Dynamics Study of Solid-Liquid Heat Transfer and Passive Liquid Flow

  2016cites this paper
• Markovian and Non-Markovian Modeling of Membrane Dynamics with Milestoning.

  2016cites this paper
• Solid-supported polymer bilayers formed by coil-coil block copolymers.

  2016cites this paper
• Influence of the presence of solutes on the structural and dynamical properties of lipid membranes and water[HBNI Th108]

  2016cites this paper
• Long-timescale motions in glycerol-monopalmitate lipid bilayers investigated using molecular dynamics simulation.

  2015cites this paper
• Surface tension and Laplace pressure in triangulated surface models for membranes without fixed boundary

  2015cites this paper
• Influence of interfacial interactions on deformation mechanism and interface viscosity in α-chitin-calcite interfaces.

  2015influential citation
• Phase-transition properties of glycerol-dipalmitate lipid bilayers investigated using molecular dynamics simulation.

  2015cites this paper
• Lipid-protein interactions: Lessons learned from stress.

  2015cites this paper
• Effect of methanol on the phase-transition properties of glycerol-monopalmitate lipid bilayers investigated using molecular dynamics simulations: in quest of the biphasic effect.

  2015cites this paper
• A novel fragment based strategy for membrane active antimicrobials against MRSA.

  2015cites this paper
• Precise calculation of the local pressure tensor in Cartesian and spherical coordinates in LAMMPS

  2015cites this paper
• Electroporation threshold of POPC lipid bilayers with incorporated polyoxyethylene glycol (C12E8).

  2015cites this paper
• A computer model of a polyunsaturated monogalactolipid bilayer.

  2015cites this paper
• Effect of the cosolutes trehalose and methanol on the equilibrium and phase-transition properties of glycerol-monopalmitate lipid bilayers investigated using molecular dynamics simulations

  2014cites this paper
• Phytochemicals Perturb Membranes and Promiscuously Alter Protein Function

  2014cites this paper
• The Curvature Induction of Surface-Bound Antimicrobial Peptides Piscidin 1 and Piscidin 3 Varies with Lipid Chain Length

  2014cites this paper
• Molecular dynamics simulations of lipid membranes with lateral force: rupture and dynamic properties.

  2014cites this paper
• Interaction of multiple biomimetic antimicrobial polymers with model bacterial membranes.

  2014cites this paper
• Electroporation of archaeal lipid membranes using MD simulations.

  2014cites this paper
• Structural properties of archaeal lipid bilayers: small-angle X-ray scattering and molecular dynamics simulation study.

  2014cites this paper
• Reinforcing the membrane-mediated mechanism of action of the anti-tuberculosis candidate drug thioridazine with molecular simulations

  2014cites this paper
• Free Energy Calculation of Nanodiamond-Membrane Association-The Effect of Shape and Surface Functionalization.

  2014cites this paper
• The dynamic action mechanism of small cationic antimicrobial peptides.

  2014cites this paper
• The force-from-lipid (FFL) principle of mechanosensitivity, at large and in elements

  2014cites this paper
• Molecular modeling of lipid membrane curvature induction by a peptide: more than simply shape.

  2014influential citation
• Classical and Quantum Descriptions of Proteins, Lipids and Membranes

  2014cites this paper
• A Molecular Simulation Study on Micelle Fragmentation and Wetting in Nano-Confined Channels

  2014cites this paper
• Synaptotagmin's role in neurotransmitter release likely involves Ca(2+)-induced conformational transition.

  2014cites this paper
• Insights into the role of cyclic ladderane lipids in bacteria from computer simulations.

  2014cites this paper
• Importance of Force Decomposition for Local Stress Calculations in Biomembrane Molecular Simulations.

  2014cites this paper
• The molecular structure of a phosphatidylserine bilayer determined by scattering and molecular dynamics simulations.

  2014cites this paper
• Escherichia coli Peptidoglycan Structure and Mechanics as Predicted by Atomic-Scale Simulations

  2014cites this paper
• Feeling the hidden mechanical forces in lipid bilayer is an original sense

  2014cites this paper
• Atomistic Monte Carlo Simulation of Lipid Membranes

  2014cites this paper
• Thermal fluctuations in shape, thickness, and molecular orientation in lipid bilayers. II. Finite surface tensions.

  2013cites this paper
• Bending free energy from simulation: correspondence of planar and inverse hexagonal lipid phases.

  2013cites this paper
• On the Electroporation Thresholds of Lipid Bilayers: Molecular Dynamics Simulation Investigations

  2013cites this paper
• Physical properties of mixed bilayers containing lamellar and nonlamellar lipids: insights from coarse-grain molecular dynamics simulations.

  2013cites this paper
• Coarse-Grained Models for Protein-Cell Membrane Interactions

  2013cites this paper
• Compression of high grafting density opposing polymer brushes using molecular dynamics simulations in explicit solvent.

  2013cites this paper
• Effect of tension and curvature on the chemical potential of lipids in lipid aggregates.

  2013cites this paper
• Designing polymer-tethered membrane-nanoparticle composites

  2013cites this paper
• Probing microscopic material properties inside simulated membranes through spatially resolved three-dimensional local pressure fields and surface tensions.

  2013influential citation
• Inclusion of lateral pressure/curvature stress effects in implicit membrane models.

  2013cites this paper
• Simulation studies of structure and edge tension of lipid bilayer edges: effects of tail structure and force-field.

  2013cites this paper
• Nanomechanical properties of lipid bilayer: asymmetric modulation of lateral pressure and surface tension due to protein insertion in one leaflet of a bilayer.

  2013cites this paper
• Molecular origin of the antifungal action of Amphotericin B - computational approach

  2013cites this paper
• Effect of the interfacial tension and ionic strength on the thermodynamic barrier associated to the benzocaine insertion into a cell membrane

  2013cites this paper
• A Hybrid Approach for Highly Coarse-grained Lipid Bilayer Models.

  2013cites this paper
• Three-dimensional stress field around a membrane protein: atomistic and coarse-grained simulation analysis of gramicidin A.

  2013cites this paper
• Vesicles and vesicle fusion: coarse-grained simulations.

  2013cites this paper
• Exploration de la reconnaissance de la courbure membranaire par le motif ALPS

  2013cites this paper
• Fluorescence anisotropy of diphenylhexatriene and its cationic Trimethylamino derivative in liquid dipalmitoylphosphatidylcholine liposomes: opposing responses to isoflurane

  2012cites this paper
• A Molecular Dynamics Simulation Study of Nanomechanical Properties of Asymmetric Lipid Bilayer

  2012cites this paper
• Quantitative Fluorescence Studies of Intracellular Sterol Transport and Distribution

  2012cites this paper
• Free-energy based pair-additive potentials for bulk Ni-Al systems: application to study Ni-Al reactive alloying.

  2012cites this paper
• Molecular mechanism of flip-flop in triple-layer oleic-acid membrane: correlation between oleic acid and water.

  2012cites this paper