Dynamical properties of a hydrated lipid bilayer from a multinanosecond molecular dynamics simulation

Biophysical Journal

Volumn 81, Issue 5, 2001, Pages 2484-2494

  Moore, Preston B ^a   Lopez, Carlos F ^a   Klein, Michael L ^a  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DEUTERIUM; DIMYRISTOYLPHOSPHATIDYLCHOLINE; WATER;

ARTICLE; CALCULATION; DIFFUSION COEFFICIENT; ELECTRON; HYDRATION; LIPID BILAYER; MOLECULAR DYNAMICS; MOLECULAR MODEL; ROTATION; SIMULATION; TEMPERATURE;

EID: 0034759459     PISSN: 00063495     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0006-3495(01)75894-8     Document Type: Article

References (63)

1. Synchrotron x-ray diffraction study of lipid surface
2. Fatty acyl chain order in lecthin model membranes determined from proton magnetic resonance
3. Dynamic properties
4. A general pressure tensor calculation for molecular dynamics simulations
5. Application of a multiple time step algorithm to biomolecular systems
6. Combined Monte Carlo and molecular dynamics simulation of fully hydrated dioleyl and palmitoyl-oleyl phosphatideylcholine lipid bilayers
7. A second generation force field for the simulations of protiens, nucleic acids and organic molecules
8. A comparison of DMPC and DPLE based lipid bilayers
9. Particle mesh ewald - An N.LOG(N) method for ewald sums in large systems
10. Lateral diffusion in spin-labeled phosphatidylcholine multilayers
11. Molecular dynamics simulations of membranes and a transmembrane helix
12. Dynamical properties of phospholipid bilayers from computer simulation
13. A smooth particle mesh ewald method
14. The Nose-Hoover thermostat
15. Effect of electrostatic force truncation on interfacial and transport properties of water
16. From semi-flexible polymers to membranes: Anomalous diffusion and reptation
17. Enhanced transverse diffusion in active biomembranes
18. Single-molecule anisotropy imaging
19. Phases of phosphatidyl perpendicular to water surface. A synchrotron x-ray reflectivity study
20. Conformational constraints on the headgroup and sn-2 chain of bilayer DMPC from NMR dipolar couplings
21. A multiple-time-step molecular dynamics algorithm for macromolecules
22. Constant pressure and temperature moleculardynamics simulation of the hydreated diphytanolphosphatidylcholine lipid bilayer
23. Revisting the fluid mosaic model of membranes
24. Hydration dependence of chain dynamics and local diffusion in L-(Dipalmitoylphosphatidylcholine multilayers studied by incoherent quasi-elastic neutron scattering
25. Molecular dynamics study of interaction of dimyristoyl phosphotidylcholine with water
26. Mesoscopic undulations and thickness fluctuations in lipid bilayers from molecular dynamics simulations
27. Reorientational correlation functions, quaternions and Wigner rotation matrices
28. Cholesterol orientation and dynamics in dimyristoylphosphatidylchonine bilayers: A solid state deuterium NMR analysis
29. Explicit reversible integrators for extended systems dynamics
30. Multipulse dynamic nuclear magnetic resonance of phospholipid membranes
31. Small-scale lipid-membrane structure: Simulation versus experiment
32. Study of the topography of cannabinoids in model membranes using x-ray diffraction
33. α phase dipalmitoylphosphatidylcholine bilayers
34. On the truncation of long-range electrostatic interactions in DNA
35. Ewald summation and reaction field methods for potential with atomic charges, dipoles and polarizabilities
36. Charge pairing of headgroups in phosphatidylcholine membranes: A molecular dynamics simulation study
37. Time scales of lipid dynamics and molecular dynamics
38. Fluid phase structure of EPC and DMPC bilayers
39. Single-molecule microscopy on model membranes reveals anomalous diffusion
40. Properties of lipid microdomains in a muscle cell membrane visualized by single molecule microscopy
41. Flourescence correlation spectroscopy with single-molecule sensitivity on cell and model membranes
42. Deuterium magnetic resonance: Theory and applications in lipid membranes
43. Molecular dynamics study of a lipid bilayer: Convergence, structure, and long-time dynamics
44. Above, below and beyond Brownian motion
45. A computer perspective of membranes: Molecular dynamics studies of lipid bilayer systems
46. Molecular-dynamics simulations of a protein in the canonical ensemble
47. On the product of semi groups of operators
48. Influence of cholesterol on dynamics of dimyristoylphosphatidylcholine bilayers as studied by deuterium NMR relaxation
49. Molecular dynamics investigation of the structure of a fully hydrated gel-phase dipalmitoylphosphatidylcholine bilayer
50. Reversible multiple time scale molecular dynamics
51. Understanding modern molecular dynamics: Techniques and applications
52. 31P nuclear magnetic resonance spectroscopy
53. A carbon-13 nuclear magnetic resonance spectroscopic study of inter-proton pair order parameters: A new approach to study order and dynamics in phospholipid membrane systems
54. β1) phase lipid bilayers in constant pressure and constant surface area ensembles
55. Replicated data and domain decomposition molecular dynamics techniques for simulation of anisotropic potentials
56. Lateral diffusion in phospholipid multibilayers measured by fluorescence recovery after photobleaching
57. Structural studies of the HIV-1 accessory protein vpu in langmuir monolayers: Synchrotron x-ray reflectivity
58. Molecular dynamics simulations of a fully hydrated dimyristoyulphosphatidylcholine membrane in liquid-crystalline phase