-
2
-
-
0031824356
-
Structure and interactions of fully hydrated dioleoylphosphatidylcholine bilayers
-
Tristram-Nagle, S., H. I. Petrache, and J. F. Nagle. 1998. Structure and interactions of fully hydrated dioleoylphosphatidylcholine bilayers. Biophys. J. 75:917-925.
-
(1998)
Biophys. J.
, vol.75
, pp. 917-925
-
-
Tristram-Nagle, S.1
Petrache, H.I.2
Nagle, J.F.3
-
3
-
-
85051972100
-
Determination of the structure of fluid lipid bilayer membranes
-
E. A. Disalvo and S. A. Simon, editors. CRC Press. Boca Raton, FL
-
White, S. H., and M. C. Wiener. 1995. Determination of the structure of fluid lipid bilayer membranes. In Permeability and Stability of Lipid Bilayers. E. A. Disalvo and S. A. Simon, editors. CRC Press. Boca Raton, FL. 1-19.
-
(1995)
Permeability and Stability of Lipid Bilayers
, pp. 1-19
-
-
White, S.H.1
Wiener, M.C.2
-
4
-
-
0026011502
-
Fluid bilayer structure determination by the combined use of x-ray and neutron diffraction. I. Fluid bilayer models and the limits of resolution
-
Wiener, M. C., and S. H. White. 1991. Fluid bilayer structure determination by the combined use of x-ray and neutron diffraction. I. Fluid bilayer models and the limits of resolution. Biophys. J. 59:162-173.
-
(1991)
Biophys. J.
, vol.59
, pp. 162-173
-
-
Wiener, M.C.1
White, S.H.2
-
5
-
-
0019398052
-
Low-angle X-ray diffraction
-
E. Grell, editor. Springer-Verlag. Berlin, Germany
-
Franks, N. P., and Y. K. Levine. 1981. Low-angle X-ray diffraction. In Membrane Spectroscopy. E. Grell, editor. Springer-Verlag. Berlin, Germany. 437-487.
-
(1981)
Membrane Spectroscopy
, pp. 437-487
-
-
Franks, N.P.1
Levine, Y.K.2
-
6
-
-
0026729232
-
Structure of a fluid dioleoylphosphatidylcholine bilayer determined by joint refinement of x-ray and neutron diffraction data. III. Complete structure
-
Wiener, M. C., and S. H. White. 1992. Structure of a fluid dioleoylphosphatidylcholine bilayer determined by joint refinement of x-ray and neutron diffraction data. III. Complete structure. Biophys. J. 61:434-447.
-
(1992)
Biophys. J.
, vol.61
, pp. 434-447
-
-
Wiener, M.C.1
White, S.H.2
-
7
-
-
21244462687
-
Experimental validation of molecular dynamics simulations of lipid bilayers: A new approach
-
Benz, R. W., F. Castro-Román, 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-Román, F.2
Tobias, D.J.3
White, S.H.4
-
8
-
-
0018280201
-
A direct method for determination of membrane electron density profiles on an absolute scale
-
Franks, N. P., T. Arunachalam, and E. Caspi. 1978. A direct method for determination of membrane electron density profiles on an absolute scale. Nature. 276:530-532.
-
(1978)
Nature
, vol.276
, pp. 530-532
-
-
Franks, N.P.1
Arunachalam, T.2
Caspi, E.3
-
9
-
-
0025819980
-
Transbilayer distribution of bromine in fluid bilayers containing a specifically brominated analog of dioleoylphosphatidylcholine
-
Wiener, M. C., and S. H. White. 1991. Transbilayer distribution of bromine in fluid bilayers containing a specifically brominated analog of dioleoylphosphatidylcholine. Biochemistry. 30:6997-7008.
-
(1991)
Biochemistry
, vol.30
, pp. 6997-7008
-
-
Wiener, M.C.1
White, S.H.2
-
10
-
-
0017927954
-
Neutron diffraction studies on selectively deuterated phospholipid bilayers
-
Büldt, G., H. U. Gally, A. Seelig, J. Seelig, and G. Zaccai. 1978. Neutron diffraction studies on selectively deuterated phospholipid bilayers. Nature. 271:182-184.
-
(1978)
Nature
, vol.271
, pp. 182-184
-
-
Büldt, G.1
Gally, H.U.2
Seelig, A.3
Seelig, J.4
Zaccai, G.5
-
11
-
-
0026048378
-
Structure of a fluid dioleoylphosphatidylcholine bilayer determined by joint refinement of x-ray and neutron diffraction data. I. Scaling of neutron data and the distribution of double-bonds and water
-
Wiener, M. C., G. I. King, and S. H. White. 1991. Structure of a fluid dioleoylphosphatidylcholine bilayer determined by joint refinement of x-ray and neutron diffraction data. I. Scaling of neutron data and the distribution of double-bonds and water. Biophys. J. 60:568-576.
-
(1991)
Biophys. J.
, vol.60
, pp. 568-576
-
-
Wiener, M.C.1
King, G.I.2
White, S.H.3
-
12
-
-
0026683431
-
Structure of a fluid dioleoylphosphatidylcholine bilayer determined by joint refinement of x-ray and neutron diffraction data. II. Distribution and packing of terminal methyl groups
-
Wiener, M. C., and S. H. White. 1992. Structure of a fluid dioleoylphosphatidylcholine bilayer determined by joint refinement of x-ray and neutron diffraction data. II. Distribution and packing of terminal methyl groups. Biophys. J. 61:428-433.
-
(1992)
Biophys. J.
, vol.61
, pp. 428-433
-
-
Wiener, M.C.1
White, S.H.2
-
13
-
-
0024558250
-
The nature of the hydrophobic binding of small peptides at the bilayer interface: Implications for the insertion of transbilayer helices
-
Jacobs, R. E., and S. H. White. 1989. The nature of the hydrophobic binding of small peptides at the bilayer interface: implications for the insertion of transbilayer helices. Biochemistry. 28:3421-3437.
-
(1989)
Biochemistry
, vol.28
, pp. 3421-3437
-
-
Jacobs, R.E.1
White, S.H.2
-
14
-
-
0031848843
-
Interaction of substance P with phospholipid bilayers: A neutron diffraction study
-
Bradshaw, J. P., S. M. A. Davies, and T. Hauss. 1998. Interaction of substance P with phospholipid bilayers: a neutron diffraction study. Biophys. J. 75:889-895.
-
(1998)
Biophys. J.
, vol.75
, pp. 889-895
-
-
Bradshaw, J.P.1
Davies, S.M.A.2
Hauss, T.3
-
15
-
-
0033516703
-
An amphipathic α-helix at a membrane interface: A structural study using a novel x-ray diffraction method
-
Hristova, K., W. C. Wimley, V. K. Mishra, G. M. Anantharamaiah, J. P. Segrest, and S. H. White. 1999. An amphipathic α-helix at a membrane interface: A structural study using a novel x-ray diffraction method. J. Mol. Biol. 290:99-117.
-
(1999)
J. Mol. Biol.
, vol.290
, pp. 99-117
-
-
Hristova, K.1
Wimley, W.C.2
Mishra, V.K.3
Anantharamaiah, G.M.4
Segrest, J.P.5
White, S.H.6
-
16
-
-
0035144532
-
Structure, location, and lipid perturbations of melittin at the membrane interface
-
Hristova, K., C. E. Dempsey, and S. H. White. 2001. Structure, location, and lipid perturbations of melittin at the membrane interface. Biophys. J. 80:801-811.
-
(2001)
Biophys. J.
, vol.80
, pp. 801-811
-
-
Hristova, K.1
Dempsey, C.E.2
White, S.H.3
-
17
-
-
0030000521
-
Simulated annealing with restrained molecular dynamics using a flexible restraint potential: Theory and evaluation with simulated NMR constraints
-
Bassolino-Klimas, D., R. Tejero, S. R. Krystek, W. J. Metzler, G. T. Montelione, and R. E. Bruccoleri. 1996. Simulated annealing with restrained molecular dynamics using a flexible restraint potential: theory and evaluation with simulated NMR constraints. Protein Sci. 5:593-603.
-
(1996)
Protein Sci.
, vol.5
, pp. 593-603
-
-
Bassolino-Klimas, D.1
Tejero, R.2
Krystek, S.R.3
Metzler, W.J.4
Montelione, G.T.5
Bruccoleri, R.E.6
-
18
-
-
0000870109
-
Three-dimensional structure of proteins determined by molecular dynamics with interproton distance restraints: Application to crambin
-
Brünger, A. T., G. M. Clore, A. M. Gronenborn, and M. Karplus. 1986. Three-dimensional structure of proteins determined by molecular dynamics with interproton distance restraints: application to crambin. Proc. Natl. Acad. Sci. USA. 83:3801-3805.
-
(1986)
Proc. Natl. Acad. Sci. USA
, vol.83
, pp. 3801-3805
-
-
Brünger, A.T.1
Clore, G.M.2
Gronenborn, A.M.3
Karplus, M.4
-
19
-
-
0022419169
-
A protein structure from nuclear magnetic resonance data: lac repressor headpiece
-
Kaptein, R., E. R. P. Zuiderweg, R. M. Scheek, R. Boelens, and W. F. van Gunsteren. 1985. A protein structure from nuclear magnetic resonance data: lac repressor headpiece. J. Mol. Biol. 182:179-182.
-
(1985)
J. Mol. Biol.
, vol.182
, pp. 179-182
-
-
Kaptein, R.1
Zuiderweg, E.R.P.2
Scheek, R.M.3
Boelens, R.4
Van Gunsteren, W.F.5
-
20
-
-
0042885340
-
Free energy calculation from steered molecular dynamics simulations using Jarzynski's equality
-
Park, S., F. Khalili-Araghi, E. Tajkhorshid, and K. Schulten. 2003. Free energy calculation from steered molecular dynamics simulations using Jarzynski's equality. J. Chem. Phys. 119:3559-3566.
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 3559-3566
-
-
Park, S.1
Khalili-Araghi, F.2
Tajkhorshid, E.3
Schulten, K.4
-
21
-
-
0029633155
-
The calculation of the potential of mean force using computer simulations
-
Roux, B. 1995. The calculation of the potential of mean force using computer simulations. Comput. Phys. Commun. 91:275-282.
-
(1995)
Comput. Phys. Commun.
, vol.91
, pp. 275-282
-
-
Roux, B.1
-
22
-
-
0035277126
-
Extension to the weighted histogram analysis methods: Combining umbrella sampling with free energy calculations
-
Souaille, M., and B. Roux. 2001. Extension to the weighted histogram analysis methods: combining umbrella sampling with free energy calculations. Comput. Phys. Commun. 135:40-57.
-
(2001)
Comput. Phys. Commun.
, vol.135
, pp. 40-57
-
-
Souaille, M.1
Roux, B.2
-
24
-
-
0042415783
-
NAMD2: Greater scalability for parallel molecular dynamics
-
Kalé, L., R. Skeel, M. Bhandarkar, R. Brunner, A. Gursoy, N. Krawetz, J. Phillips, A. Shinozaki, K. Varadarajan, and K. Schulten. 1999. NAMD2: greater scalability for parallel molecular dynamics. J. Comput. Phys. 151:283-312.
-
(1999)
J. Comput. Phys.
, vol.151
, pp. 283-312
-
-
Kalé, L.1
Skeel, R.2
Bhandarkar, M.3
Brunner, R.4
Gursoy, A.5
Krawetz, N.6
Phillips, J.7
Shinozaki, A.8
Varadarajan, K.9
Schulten, K.10
-
25
-
-
0002062192
-
An empirical potential energy function for phospholipids: Criteria for parameter optimization and applications
-
K. M. Merz, Jr., and B. Roux, editors. Birkhäuser. Boston, MA
-
Schlenkrich, M., J. Brickmann, A. D. MacKerell, Jr., and M. Karplus. 1996. An empirical potential energy function for phospholipids: criteria for parameter optimization and applications. In Biological Membranes. K. M. Merz, Jr., and B. Roux, editors. Birkhäuser. Boston, MA. 31-81.
-
(1996)
Biological Membranes
, pp. 31-81
-
-
Schlenkrich, M.1
Brickmann, J.2
MacKerell Jr., A.D.3
Karplus, M.4
-
26
-
-
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
-
27
-
-
0034250744
-
An improved empirical potential energy function for molecular simulations of phospholipids
-
Feller, S. E., and A. D. MacKerell, Jr. 2000. An improved empirical potential energy function for molecular simulations of phospholipids. J. Phys. Chem. B. 104:7510-7515.
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 7510-7515
-
-
Feller, S.E.1
MacKerell Jr., A.D.2
-
29
-
-
0028867364
-
Constant pressure and temperature molecular dynamics simulation of a fully hydrated liquid crystal phase dipalmitoylphosphatidylcholine bilayer
-
Tu, K., D. J. Tobias, and M. L. Klein. 1995. Constant pressure and temperature molecular dynamics simulation of a fully hydrated liquid crystal phase dipalmitoylphosphatidylcholine bilayer. Biophys. J. 69:2558-2562.
-
(1995)
Biophys. J.
, vol.69
, pp. 2558-2562
-
-
Tu, K.1
Tobias, D.J.2
Klein, M.L.3
-
30
-
-
36449007836
-
Constant pressure molecular dynamics simulation: The Langevin piston method
-
Feller, S. E., Y. Zhang, R. W. Pastor, and B. R. Brooks. 1995. Constant pressure molecular dynamics simulation: the Langevin piston method. J. Chem. Phys. 103:4613-4621.
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 4613-4621
-
-
Feller, S.E.1
Zhang, Y.2
Pastor, R.W.3
Brooks, B.R.4
-
31
-
-
33645961739
-
A smooth particle mesh Ewald method
-
Essmann, U., L. Perera, M. L. Berkowitz, T. Darden, H. Lee, and L. G. Pedersen. 1995. A smooth particle mesh Ewald method. J. Chem. Phys. 103:8577-8593.
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 8577-8593
-
-
Essmann, U.1
Perera, L.2
Berkowitz, M.L.3
Darden, T.4
Lee, H.5
Pedersen, L.G.6
-
32
-
-
33646650705
-
Reversible multiple time scale molecular dynamics
-
Tuckerman, M., and B. J. Berne. 1992. Reversible multiple time scale molecular dynamics. J. Chem. Phys. 97:1990-2001.
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 1990-2001
-
-
Tuckerman, M.1
Berne, B.J.2
-
33
-
-
84963146276
-
Generalized Verlet algorithm for efficient molecular dynamics simulations with long-range interactions
-
Grubmüller, H., H. Heller, A. Windemuth, and K. Schulten. 1991. Generalized Verlet algorithm for efficient molecular dynamics simulations with long-range interactions. Mol. Simul. 6:121-142.
-
(1991)
Mol. Simul.
, vol.6
, pp. 121-142
-
-
Grubmüller, H.1
Heller, H.2
Windemuth, A.3
Schulten, K.4
-
35
-
-
0035201782
-
Molecular simulation of dioleoylphosphatidylcholine lipid bilayers at differing levels of hydration
-
Mashl, R. J., H. L. Scott, S. Subramaniam, and E. Jokobsson. 2001. Molecular simulation of dioleoylphosphatidylcholine lipid bilayers at differing levels of hydration. Biophys. J. 81:3005-3015.
-
(2001)
Biophys. J.
, vol.81
, pp. 3005-3015
-
-
Mashl, R.J.1
Scott, H.L.2
Subramaniam, S.3
Jokobsson, E.4
-
36
-
-
0011613265
-
Molecular dynamics simulation of melittin in a dimyristoylphosphatidylcholine bilayer membrane
-
Bernèche, S., M. Nina, and B. Roux. 1998. Molecular dynamics simulation of melittin in a dimyristoylphosphatidylcholine bilayer membrane. Biophys. J. 75:1603-1618.
-
(1998)
Biophys. J.
, vol.75
, pp. 1603-1618
-
-
Bernèche, S.1
Nina, M.2
Roux, B.3
-
37
-
-
0001183580
-
Melittin at a membrane/water interface: Effects on water orientation and water penetration
-
Bachar, M., and O. M. Becker. 1999. Melittin at a membrane/water interface: effects on water orientation and water penetration. J. Chem. Phys. 111:8672-8685.
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 8672-8685
-
-
Bachar, M.1
Becker, O.M.2
-
38
-
-
0034091671
-
Protein-induced membrane disorder: A molecular dynamics study of melittin in a dipalmitoylphosphatidylcholine bilayer
-
Bachar, M., and O. M. Becker. 2000. Protein-induced membrane disorder: a molecular dynamics study of melittin in a dipalmitoylphosphatidylcholine bilayer. Biophys. J. 78:1359-1375.
-
(2000)
Biophys. J.
, vol.78
, pp. 1359-1375
-
-
Bachar, M.1
Becker, O.M.2
-
39
-
-
0002691613
-
Adsorption of melittin to a lipid bilayer: A molecular dynamics study
-
Lin, J.-H., and A. Baumgärtner. 2000. Adsorption of melittin to a lipid bilayer: a molecular dynamics study. J. Mol. Liquids. 84:89-98.
-
(2000)
J. Mol. Liquids
, vol.84
, pp. 89-98
-
-
Lin, J.-H.1
Baumgärtner, A.2
-
40
-
-
0031980119
-
Determination of the hydrocarbon core structure of fluid dioleoylphosphocholine (DOPC) bilayers by x-ray diffraction using specific bromination of the double-bonds: Effect of hydration
-
Hristova, K., and S. H. White. 1998. Determination of the hydrocarbon core structure of fluid dioleoylphosphocholine (DOPC) bilayers by x-ray diffraction using specific bromination of the double-bonds: effect of hydration. Biophys. J. 74:2419-2433.
-
(1998)
Biophys. J.
, vol.74
, pp. 2419-2433
-
-
Hristova, K.1
White, S.H.2
|