Calculating the bulk modulus for a lipid bilayer with nonequilibrium molecular dynamics simulation

Biophysical Journal

Volumn 82, Issue 3, 2002, Pages 1226-1238

  Ayton, Gary ^a   Smondyrev, Alexander M ^a   Bardenhagen, Scott G ^b   McMurtry, Patrick ^b   Voth, Gregory A ^a  

^a UNIVERSITY OF UTAH   (United States)

^b Department of Electrical and Computer Engineering   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DIMYRISTOYLPHOSPHATIDYLCHOLINE;

ARTICLE; COMPUTER SIMULATION; CONFORMATIONAL TRANSITION; LIPID BILAYER; MATHEMATICAL ANALYSIS; MEMBRANE STRUCTURE; MOLECULAR DYNAMICS; OSMOTIC STRESS;

EID: 0036200766     PISSN: 00063495     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0006-3495(02)75479-9     Document Type: Article

References (43)

1. Interfacing continuum and molecular dynamics: An application to lipid bilayers
2. Interfacing molecular dynamics with continuum dynamics in computer simulation: Towards an application to biological membranes
3. On the asymptotic convergence of the transient and steady-state fluctuation theorems
4. Dynamical properties of phospholipid bilayers from computer simulation
5. A smooth particle mesh Ewald method
6. The Nose-Hoover thermostat
7. Physical properties of surfactant bilayer membranes: Thermal transitions, elasticity, rigidity, cohesion and colloidal interactions
8. On simulating lipid bilayers with an applied surface tension: Periodic boundary conditions and undulations
9. Length scales of lipid dynamics and molecular dynamics
10. Constant surface tension simulations of lipid bilayers: The sensitivity of surface areas and compressibilities
11. Computer simulation of liquid/liquid interfaces II: Surface tension-area dependence of a bilayer and monolayer
12. Membrane simulations: Bigger and better?
13. Mechanical properties of vesicles II. A model for osmotic swelling and lysis
14. Canonical dynamics: Equilibrium phase-space distributions
15. Lennard-Jones triple-point bulk and shear viscosities. Green-Kubo theory, Hamiltonian mechanics, and nonequilibrium molecular dynamics
16. Bulk viscosity via nonequilibrium and equilibrium molecular dynamics
17. Comparison of simple potential functions for simulating liquid water
18. Membrane lateral compressibility determined by NMR and x-ray diffraction: Effect of acyl chain polyunsaturation
19. Nonlinear vibration of axially moving membrane by finite element method
20. Thermoelasticity of large lecithin bilayer vesicles
21. Osmotic properties of large unilamellar vesicles prepared by extrusion
22. Nonequilibrium molecular dynamics
23. Elastic deformation and failure of lipid bilayer membranes containing cholesterol
24. Water permability and mechanical strength of polyunsaturated lipid bilayers
25. Time scales of lipid dynamics and molecular dynamics
26. Sphingolipid-cholesterol rafts diffuse as small entities in the plasma membrane of mammalian cells
27. Effect of chain length and unsaturation on elasticity of lipid bilayers
28. Molecular dynamics simulations of biomolecules: Long-range electrostatic effects
29. Thermal fluctuations of large cylindrical phospholipid vesicles
30. Molecular dynamics study of a lipid bilayer: Convergence, structure, and long-time dynamics
31. Functional rafts in cell membranes
32. Molecular dynamics simulation of fluorination effects on a phospholipid bilayer
33. United atom force field for phospholipid membranes: Constant pressure molecular dynamics simulation of dipalmitoylphosphatidylcholine/water system
34. A computer perspective of membranes: Molecular dynamics studies of lipid bilayer systems
35. β1) phase lipid bilayers in constant pressure and constant surface area ensembles
36. Molecular dynamics simulations of a lipid bilayer and of hexadecane: An investigation of membrane fluidity
37. Non-equilibrium molecular dynamics simulation of the shear viscosity of liquid methanol: Adaptation of the Ewald Sum to Lees-Edwards boundary conditions
38. The material point method for simulation of thin membranes
39. Computer simulation of liquid/liquid interfaces I: Theory and application to octane/water