-
1
-
-
0018786933
-
Temperature and compositional dependence of the structure of hydrated dimyristoyl lecithin
-
Janiak, M. J., D. M. Small, and G. G. Shipley. 1979. Temperature and compositional dependence of the structure of hydrated dimyristoyl lecithin. J. Biol. Chem. 254:6068-6078.
-
(1979)
J. Biol. Chem.
, vol.254
, pp. 6068-6078
-
-
Janiak, M.J.1
Small, D.M.2
Shipley, G.G.3
-
2
-
-
0023057572
-
Area per molecule and distribution of water in fully hydrated dilauroylphosphatidylethanolamine bilayers
-
McIntosh, T. J., and S. A. Simon. 1986. Area per molecule and distribution of water in fully hydrated dilauroylphosphatidylethanolamine bilayers. Biochemistry. 25:4948-4952.
-
(1986)
Biochemistry
, vol.25
, pp. 4948-4952
-
-
McIntosh, T.J.1
Simon, S.A.2
-
4
-
-
0025964363
-
Fluid bilayer structure determination by the combined use of x-ray and neutron-diffraction II. Composition-space refinement method
-
Wiener, M. C., and S. H. White. 1991. Fluid bilayer structure determination by the combined use of x-ray and neutron-diffraction II. Composition-space refinement method. Biophys. J. 59:174-185.
-
(1991)
Biophys. J.
, vol.59
, pp. 174-185
-
-
Wiener, M.C.1
White, S.H.2
-
6
-
-
22144486884
-
Structure of fully hydrated fluid phase DMPC and DLPC lipid bilayers using x-ray scattering from oriented multilamellar arrays and from unilameller vesicles
-
Kučerka, N., Y. Liu, N. Chu, H. I. Petrache, S. Tristram-Nagle, and J. F. Nagle. 2005. Structure of fully hydrated fluid phase DMPC and DLPC lipid bilayers using x-ray scattering from oriented multilamellar arrays and from unilameller vesicles. Biophys. J. 88:2626-2637.
-
(2005)
Biophys. J.
, vol.88
, pp. 2626-2637
-
-
Kučerka, N.1
Liu, Y.2
Chu, N.3
Petrache, H.I.4
Tristram-Nagle, S.5
Nagle, J.F.6
-
7
-
-
37649031391
-
Diffuse scattering provides material parameters and electron density profiles of biomembranes
-
Liu, Y. F., and J. F. Nagle. 2004. Diffuse scattering provides material parameters and electron density profiles of biomembranes. Phys. Rev. E. 69:040901.
-
(2004)
Phys. Rev. E
, vol.69
, pp. 040901
-
-
Liu, Y.F.1
Nagle, J.F.2
-
8
-
-
0024616834
-
Structure of the fully hydrated gel phase of dipalmitoylphosphatidylcholine
-
Wiener, M. C., R. M. Suter, and J. F. Nagle. 1989. Structure of the fully hydrated gel phase of dipalmitoylphosphatidylcholine. Biophys. J. 55:315-325.
-
(1989)
Biophys. J.
, vol.55
, pp. 315-325
-
-
Wiener, M.C.1
Suter, R.M.2
Nagle, J.F.3
-
9
-
-
0343621506
-
Submolecular organization of DMPA in surface monolayers: Beyond the two-layer model
-
Schalke, M., P. Kruger, M. Weygand, and M. Losche. 2000. Submolecular organization of DMPA in surface monolayers: beyond the two-layer model. Biochim. Biophys. Acta. 1464:113-126.
-
(2000)
Biochim. Biophys. Acta
, vol.1464
, pp. 113-126
-
-
Schalke, M.1
Kruger, P.2
Weygand, M.3
Losche, M.4
-
10
-
-
0030844208
-
Molecular dynamics simulation of unsaturated lipid bilayers at low hydration: Parameterization and comparison with diffraction studies
-
Feller, S. E., D. X. Yin, R. W. Pastor, and A. D. MacKerell, Jr. 1997. Molecular dynamics simulation of unsaturated lipid bilayers at low hydration: parameterization and comparison with diffraction studies. Biophys. J. 73:2269-2279.
-
(1997)
Biophys. J.
, vol.73
, pp. 2269-2279
-
-
Feller, S.E.1
Yin, D.X.2
Pastor, R.W.3
MacKerell Jr., A.D.4
-
11
-
-
0242498757
-
Interpretation of small angle x-ray measurements guided by molecular dynamics simulations of lipid bilayers
-
Sachs, J. N., H. I. Petrache, and T. B. Woolf. 2003. Interpretation of small angle x-ray measurements guided by molecular dynamics simulations of lipid bilayers. Chem. Phys. Lipids. 126:211-223.
-
(2003)
Chem. Phys. Lipids
, vol.126
, pp. 211-223
-
-
Sachs, J.N.1
Petrache, H.I.2
Woolf, T.B.3
-
12
-
-
21244462687
-
Experimental validation of molecular dynamics simulations of lipid bilayers: A new approach
-
Benz, R. W., F. Castro-Roman, D. J. Tobias, and S. H. White. 2005. Experimental validation of molecular dynamics simulations of lipid bilayers: a new approach. Biophys. J. 88:805-817.
-
(2005)
Biophys. J.
, vol.88
, pp. 805-817
-
-
Benz, R.W.1
Castro-Roman, F.2
Tobias, D.J.3
White, S.H.4
-
13
-
-
84986512474
-
CHARMM: A program for macromolecular energy, minimization, and dynamics calculations
-
Brooks, B. R., R. E. Bruccoleri, B. D. Olafson, D. J. States, S. Swaminathan, and M. Karplus. 1983. CHARMM: a program for macromolecular energy, minimization, and dynamics calculations. J. Comput. Chem. 4:187-217.
-
(1983)
J. Comput. Chem.
, vol.4
, pp. 187-217
-
-
Brooks, B.R.1
Bruccoleri, R.E.2
Olafson, B.D.3
States, D.J.4
Swaminathan, S.5
Karplus, M.6
-
14
-
-
15744368593
-
An ab initio study on the torsional surface of alkanes and its effect on molecular simulations of alkanes and a DPPC bilayer
-
Klauda, J. B., B. R. Brooks, A. D. MacKerell Jr., R. M. Venable, and R. W. Pastor. 2005. An ab initio study on the torsional surface of alkanes and its effect on molecular simulations of alkanes and a DPPC bilayer. J. Phys. Chem. B. 109:5300-5311.
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 5300-5311
-
-
Klauda, J.B.1
Brooks, B.R.2
MacKerell Jr., A.D.3
Venable, R.M.4
Pastor, R.W.5
-
15
-
-
33751157933
-
Solvent-induced forces between two hydrophilic groups
-
Durell, S. R., B. R. Brooks, and A. Bennaim. 1994. Solvent-induced forces between two hydrophilic groups. J. Phys. Chem. 98:2198-2202.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 2198-2202
-
-
Durell, S.R.1
Brooks, B.R.2
Bennaim, A.3
-
16
-
-
0004016501
-
Comparison of simple potential functions for simulating liquid water
-
Jorgensen, W. L., J. Chandrasekhar, J. D. Madura, R. W. Impey, and M. L. Klein. 1983. Comparison of simple potential functions for simulating liquid water. J. Chem. Phys. 79:926-935.
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 926-935
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
17
-
-
1642455952
-
Pressure-based long-range correction for Lennard-Jones interactions in molecular dynamics simulations: Application to alkanes and interfaces
-
Lagüe, P., R. W. Pastor, and B. R. Brooks. 2004. Pressure-based long-range correction for Lennard-Jones interactions in molecular dynamics simulations: application to alkanes and interfaces. J. Phys. Chem. B. 108:363-368.
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 363-368
-
-
Lagüe, P.1
Pastor, R.W.2
Brooks, B.R.3
-
18
-
-
33846823909
-
Particle mesh Ewald: An NLog(N) method for Ewald sums in large systems
-
Darden, T., D. York, and L. Pedersen. 1993. Particle mesh Ewald: an NLog(N) method for Ewald sums in large systems. J. Chem. Phys. 98:10089-10092.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 10089-10092
-
-
Darden, T.1
York, D.2
Pedersen, L.3
-
19
-
-
33646940952
-
Numerical integration of the Cartesian equations of motion of a system with constraints: Molecular dynamics of n-alkanes
-
Ryckaert, J. P., G. Ciccotti, and H. J. C. Berendsen. 1977. Numerical integration of the Cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes. J. Comp. Phys. 23:327-341.
-
(1977)
J. Comp. Phys.
, vol.23
, pp. 327-341
-
-
Ryckaert, J.P.1
Ciccotti, G.2
Berendsen, H.J.C.3
-
20
-
-
0001538909
-
Canonical dynamics: Equilibrium phase-space distributions
-
Hoover, W. G. 1985. Canonical dynamics: equilibrium phase-space distributions. Phys. Rev. A. 31:1695-1697.
-
(1985)
Phys. Rev. A
, vol.31
, pp. 1695-1697
-
-
Hoover, W.G.1
-
21
-
-
0000397037
-
A study of solid and liquid carbon tetrafluoride using the constant pressure molecular-dynamics technique
-
Nose, S., and M. L. Klein. 1983. A study of solid and liquid carbon tetrafluoride using the constant pressure molecular-dynamics technique. J. Chem. Phys. 78:6928-6939.
-
(1983)
J. Chem. Phys.
, vol.78
, pp. 6928-6939
-
-
Nose, S.1
Klein, M.L.2
-
22
-
-
36749107785
-
Molecular-dynamics simulations at constant pressure and/or temperature
-
Andersen, H. C. 1980. Molecular-dynamics simulations at constant pressure and/or temperature. J. Chem. Phys. 72:2384-2393.
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 2384-2393
-
-
Andersen, H.C.1
-
23
-
-
21644455058
-
Molecular dynamics simulations of phospholipid bilayers: Influence of artificial periodicity, system size, and simulation time
-
de Vries, A. H., I. Chandrasekhar, W. F. van Gunsteren, and P. H. Hunenberger. 2005. Molecular dynamics simulations of phospholipid bilayers: influence of artificial periodicity, system size, and simulation time. J. Phys. Chem. B. 109:11643-11652.
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 11643-11652
-
-
De Vries, A.H.1
Chandrasekhar, I.2
Van Gunsteren, W.F.3
Hunenberger, P.H.4
-
24
-
-
0031268384
-
Computer simulation of a DPPC phospholipid bilayer: Structural changes as a function of molecular surface area
-
Feller, S. E., R. M. Venable, and R. W. Pastor. 1997. Computer simulation of a DPPC phospholipid bilayer: structural changes as a function of molecular surface area. Langmuir. 13:6555-6561.
-
(1997)
Langmuir
, vol.13
, pp. 6555-6561
-
-
Feller, S.E.1
Venable, R.M.2
Pastor, R.W.3
-
25
-
-
84980073071
-
X-ray scattering factors computed from numerical Hartee-Fock wave functions
-
Cromer, D., and J. Mann. 1968. X-ray scattering factors computed from numerical Hartee-Fock wave functions. Acta Crystallogr. A. 24:321-324.
-
(1968)
Acta Crystallogr. A
, vol.24
, pp. 321-324
-
-
Cromer, D.1
Mann, J.2
-
26
-
-
0030933013
-
Determination of component volumes of lipid bilayers from simulations
-
Petrache, H. I., S. E. Feller, and J. F. Nagle. 1997. Determination of component volumes of lipid bilayers from simulations. Biophys. J. 72:2237-2242.
-
(1997)
Biophys. J.
, vol.72
, pp. 2237-2242
-
-
Petrache, H.I.1
Feller, S.E.2
Nagle, J.F.3
-
27
-
-
0031820877
-
Phospholipid component volumes: Determination and application to bilayer structure calculations
-
Armen, R. S., O. D. Uitto, and S. E. Feller. 1998. Phospholipid component volumes: determination and application to bilayer structure calculations. Biophys. J. 75:734-744.
-
(1998)
Biophys. J.
, vol.75
, pp. 734-744
-
-
Armen, R.S.1
Uitto, O.D.2
Feller, S.E.3
-
28
-
-
0024280716
-
Structure of fully hydrated bilayer dispersions
-
Nagle, J. F., and M. C. Wiener. 1988. Structure of fully hydrated bilayer dispersions. Biochim. Biophys. Acta. 942:1-10.
-
(1988)
Biochim. Biophys. Acta
, vol.942
, pp. 1-10
-
-
Nagle, J.F.1
Wiener, M.C.2
-
29
-
-
0036923942
-
Structure of gel phase DMPC determined by x-ray diffraction
-
Tristram-Nagle, S., Y. F. Liu, J. Legleiter, and J. F. Nagle. 2002. Structure of gel phase DMPC determined by x-ray diffraction. Biophys. J. 83:3324-3335.
-
(2002)
Biophys. J.
, vol.83
, pp. 3324-3335
-
-
Tristram-Nagle, S.1
Liu, Y.F.2
Legleiter, J.3
Nagle, J.F.4
-
30
-
-
0023658631
-
Steric repulsion between phosphatidylcholine bilayers
-
McIntosh, T. J., A. D. Magid, and S. A. Simon. 1987. Steric repulsion between phosphatidylcholine bilayers. Biochemistry. 26:7325-7332.
-
(1987)
Biochemistry
, vol.26
, pp. 7325-7332
-
-
McIntosh, T.J.1
Magid, A.D.2
Simon, S.A.3
-
31
-
-
0000035913
-
Temperature dependence of TIP3P, SPC, and TIP4P water from NPT Monte Carlo simulations: Seeking temperatures of maximum density
-
Jorgensen, W. L., and C. Jenson. 1998. Temperature dependence of TIP3P, SPC, and TIP4P water from NPT Monte Carlo simulations: seeking temperatures of maximum density. J. Comput. Chem. 19:1179-1186.
-
(1998)
J. Comput. Chem.
, vol.19
, pp. 1179-1186
-
-
Jorgensen, W.L.1
Jenson, C.2
-
32
-
-
36449007043
-
Computer-simulation of liquid/liquid interfaces. II. Surface- tension area dependence of a bilayer and monolayer
-
Feller, S. E., Y. H. Zhang, and R. W. Pastor. 1995. Computer-simulation of liquid/liquid interfaces. II. surface- tension area dependence of a bilayer and monolayer. J. Chem. Phys. 103:10267-10276.
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 10267-10276
-
-
Feller, S.E.1
Zhang, Y.H.2
Pastor, R.W.3
-
33
-
-
28444481767
-
A molecular dynamics study of the response of lipid bilayers and monolayers to trehalose
-
Skibinsky, A., R. M. Venable, and R. W. Pastor. 2005. A molecular dynamics study of the response of lipid bilayers and monolayers to trehalose. Biophys. J. 89:4111-4121.
-
(2005)
Biophys. J.
, vol.89
, pp. 4111-4121
-
-
Skibinsky, A.1
Venable, R.M.2
Pastor, R.W.3
-
34
-
-
0000868022
-
Computer-simulation of liquid/liquid interfaces. I. Theory and application to octane/water
-
Zhang, Y. H., S. E. Feller, B. R. Brooks, and R. W. Pastor. 1995. Computer-simulation of liquid/liquid interfaces. I. Theory and application to octane/water. J. Chem. Phys. 103:10252-10266.
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 10252-10266
-
-
Zhang, Y.H.1
Feller, S.E.2
Brooks, B.R.3
Pastor, R.W.4
-
35
-
-
0029737564
-
What is the surface pension of a lipid bilayer membrane?
-
Jähnig, F. 1996. What is the surface pension of a lipid bilayer membrane? Biophys. J. 71:1348-1349.
-
(1996)
Biophys. J.
, vol.71
, pp. 1348-1349
-
-
Jähnig, F.1
-
36
-
-
0029767694
-
On simulating lipid bilayers with an applied surface tension: Periodic boundary conditions and undulations
-
Feller, S. E., and R. W. Pastor. 1996. On simulating lipid bilayers with an applied surface tension: periodic boundary conditions and undulations. Biophys. J. 71:1350-1355.
-
(1996)
Biophys. J.
, vol.71
, pp. 1350-1355
-
-
Feller, S.E.1
Pastor, R.W.2
-
37
-
-
0030838404
-
Renormalization of the tension and area expansion modulus in fluid membranes
-
Marsh, D. 1997. Renormalization of the tension and area expansion modulus in fluid membranes. Biophys. J. 73:865-869.
-
(1997)
Biophys. J.
, vol.73
, pp. 865-869
-
-
Marsh, D.1
-
38
-
-
0033932839
-
Mesoscopic undulations and thickness fluctuations in lipid bilayers from molecular dynamics simulations
-
Lindahl, E., and O. Edholm. 2000. Mesoscopic undulations and thickness fluctuations in lipid bilayers from molecular dynamics simulations. Biophys. J. 79:426-433.
-
(2000)
Biophys. J.
, vol.79
, pp. 426-433
-
-
Lindahl, E.1
Edholm, O.2
-
39
-
-
0035812110
-
Effect of undulations on surface tension in simulated bilayers
-
Marrink, S. J., and A. E. Mark. 2001. Effect of undulations on surface tension in simulated bilayers. J. Phys. Chem. B. 105:6122-6127.
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 6122-6127
-
-
Marrink, S.J.1
Mark, A.E.2
-
40
-
-
0000951252
-
Effect of electrostatic force truncation on interfacial and transport properties of water
-
Feller, S. E., R. W. Pastor, A. Rojnuckarin, S. Bogusz, and B. R. Brooks. 1996. Effect of electrostatic force truncation on interfacial and transport properties of water. J. Phys. Chem. 100:17011-17020.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 17011-17020
-
-
Feller, S.E.1
Pastor, R.W.2
Rojnuckarin, A.3
Bogusz, S.4
Brooks, B.R.5
-
41
-
-
0141704114
-
A simple polarizable model of water based on classical Drude oscillators
-
Lamoureux, G., A. D. MacKerell, and B. Roux. 2003. A simple polarizable model of water based on classical Drude oscillators. J. Chem. Phys. 119:5185-5197.
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 5185-5197
-
-
Lamoureux, G.1
MacKerell, A.D.2
Roux, B.3
-
42
-
-
4143138518
-
Methodological issues in lipid bilayer simulations
-
Anézo, C., A. H. de Vries, H. D. Höltje, D. P. Tieleman, and S. J. Marrink. 2003. Methodological issues in lipid bilayer simulations. J. Phys. Chem. B. 107:9424-9433.
-
(2003)
J. Phys. Chem. B
, vol.107
, pp. 9424-9433
-
-
Anézo, C.1
De Vries, A.H.2
Höltje, H.D.3
Tieleman, D.P.4
Marrink, S.J.5
|