Modeling the lipid component of membranes

Current Opinion in Structural Biology

Volumn 12, Issue 4, 2002, Pages 495-502

  Scott, H Larry ^a  

^a Illinois Institute of Technology   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHOLESTEROL; LIPID; MEMBRANE LIPID;

CALCULATION; COMPLEX FORMATION; CORRELATION ANALYSIS; HUMAN; LIPID BILAYER; LIPID MEMBRANE; METHODOLOGY; NONHUMAN; PRIORITY JOURNAL; REVIEW; SIMULATION; TECHNIQUE; THEORETICAL MODEL; CELL MEMBRANE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; ELECTRICITY;

CELL MEMBRANE; CHOLESTEROL; COMPUTER SIMULATION; ELECTROSTATICS; LIPID BILAYERS; LIPIDS; MEMBRANE LIPIDS; MODELS, CHEMICAL; MODELS, MOLECULAR;

EID: 0036667740     PISSN: 0959440X     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0959-440X(02)00353-6     Document Type: Review

References (55)

1. Membrane simulations: Bigger and better?
2. Electrostatics calculations: Recent methodological advances and application to membranes
3. Molecular dynamics simulations of lipid bilayers
4. Molecular dynamics and Monte Carlo simulations of lipid bilayers
5. Molecular dynamics simulations of lipid bilayers
6. Atomic scale molecular dynamics simulations of lipid membranes
7. Structure of lipid bilayers
8. An improved empirical potential energy function for molecular simulations of phospholipids
9. Polyunsaturated fatty acids in lipid bilayers: Intrinsic and environmental contributions to their unique physical properties
10. 1 and Pc boundary conditions
11. Molecular dynamics simulations of gel phase lipid bilayers in constant pressure and constant surface area ensembles
12. Incorporation of surface tension into molecular dynamics simulations of an interface: A fluid phase lipid bilayer membrane
13. On simulating lipid bilayers with an applied surface tension: Periodic boundary conditions and undulations
14. Spatial and energetic-entropic decomposition of surface tension in lipid bilayers from molecular dynamics simulations
15. Effect of undulations on surface tension in simulated bilayers
16. Application of a combined Monte Carlo and molecular dynamics method to the simulation of a dipalmitoyl phosphatidylcholine lipid bilayer
17. Mesoscopic undulations and thickness fluctuations in lipid bilayers from molecular dynamics simulations
18. Simulation of the spontaneous aggregation of phospholipids into bilayers
19. Measurement of chain tilt angle in fully hydrated bilayers of gel phase lecithin
20. Dynamical properties of a hydrated lipid bilayer from a multinanosecond molecular dynamics simulation
21. Single molecule anisotropy imaging
22. Nuclear Overhauser enhancement spectroscopy cross-relaxation rates and ethanol distribution across membranes
23. Membrane lateral compressibility determined by NMR and X-ray diffraction: Effect of acyl chain polyunsaturation
24. Determination of the hydrocarbon core structure of fluid DOPC bilayers using specific bromination of the double bonds: Effect of hydration
25. Molecular simulation of dioleylphosphatidylcholine bilayers at differing levels of hydration
26. Molecular dynamics simulation of dipalmitoylphosphatidylserine bilayer with Na counterions
27. Simulations of zwitterionic and anionic phospholipids monolayers
28. Molecular dynamics of a lipid diamond cubic phase
29. Lipid-cholesterol interactions: Monte Carlo simulations and theory
30. Cholesterol in model membranes
31. Behavior of cholesterol and its effect on head group and chain conformations in lipid bilayers: A molecular dynamics study
32. Cholesterol effects on the phosphatidylcholine bilayer polar region: A molecular simulation study
33. Cholesterol effects on the phosphatidylcholine bilayer non-polar region: A molecular simulation study
34. 2 nuclear magnetic resonance study
35. Structure of DPPC/cholesterol bilayer at low and high cholesterol concentrations: Molecular dynamics simulations
36. Molecular dynamics simulation of dipalmitoylphosphatisylcholine membrane with cholesterol sulfate
37. Molecular dynamics simulation of dimyristoylphosphatidylcholine bilayers with cholesterol, ergosterol, and lanosterol
38. Combined Monte Carlo and molecular dynamics simulation of hydrated lipid-cholesterol lipid bilayers at low cholesterol concentration
39. Combined Monte Carlo and molecular dynamics simulation of hydrated dipalmitoyl-phosphatidylcholine-cholesterol lipid bilayers
40. Cholesterol-induced modifications in lipid bilayers: A simulation study
41. Structure of lipid bilayers
42. Molecular mechanism for the interaction of phospholipid with cholesterol
43. α phase
44. 2H nuclear magnetic resonance and differential scanning calorimetry
45. New aspects of the interaction of cholesterol with diaplmitoylphosphatidylcholine bilayers as revealed by high-sensitivity differential scanning calorimetry
46. A direct simulation of EPR slow-motion spectra of spin labeled phospholipids in liquid crystalline bilayers based on molecular dynamics simulation of the lipid dynamics
47. Small-scale lipid-membrane structure: Simulation versus experiment
48. From lanosterol to cholesterol: Structural evolution and differential effects on lipid bilayers
49. Lipid-mediated interactions between intrinsic membrane proteins: A theoretical study based on integral equations
50. Lipid-mediated interactions between intrinsic membrane proteins: Dependence on protein size and lipid composition
51. Interfacing continuum and molecular dynamics: An application to lipid bilayers
52. Calculating the bulk modulus for a lipid bilayer with nonequilibrium molecular dynamics simulation
53. Acyl chain conformation and packing in dipalmitoylphosphatidylcholine bilayers from MD simulation and IR spectroscopy