-
1
-
-
0001563901
-
Molecular-Dynamics Simulation of a Smectic Liquid-Crystal with Atomic Detail
-
E. Egberts and H. J. C. Berendsen, J. Chem. Phy., 89, 3718-3732 (1988). Molecular-Dynamics Simulation of a Smectic Liquid-Crystal with Atomic Detail.
-
(1988)
J. Chem. Phy.
, vol.89
, pp. 3718-3732
-
-
Egberts, E.1
Berendsen, H.J.C.2
-
2
-
-
0028124519
-
Molecular-Dynamics and Monte-Carlo Simulations of Lipid Bilayers
-
R. W. Pastor, Curr. Opin. Struct. Biol., 4, 486-492 (1994). Molecular-Dynamics and Monte-Carlo Simulations of Lipid Bilayers.
-
(1994)
Curr. Opin. Struct. Biol.
, vol.4
, pp. 486-492
-
-
Pastor, R.W.1
-
3
-
-
60849122250
-
Atomistic Simulations of Mixed-Lipid Bilayers in Gel and Fluid Phases
-
P. S. Coppock and J. T. Kindt, Langmuir, 25, 352-359 (2009). Atomistic Simulations of Mixed-Lipid Bilayers in Gel and Fluid Phases.
-
(2009)
Langmuir
, vol.25
, pp. 352-359
-
-
Coppock, P.S.1
Kindt, J.T.2
-
4
-
-
0242290834
-
Mixed Bilayer Containing Dipalmitoylphosphatidylcholine and Dipalmitoylphosphatidylserine: Lipid Complexation, Ion Binding, and Electrostatics
-
S. A. Pandit, D. Bostick, and M. L. Berkowitz, Biophys. J., 85, 3120-3131 (2003). Mixed Bilayer Containing Dipalmitoylphosphatidylcholine and Dipalmitoylphosphatidylserine: Lipid Complexation, Ion Binding, and Electrostatics.
-
(2003)
Biophys. J.
, vol.85
, pp. 3120-3131
-
-
Pandit, S.A.1
Bostick, D.2
Berkowitz, M.L.3
-
5
-
-
49549083949
-
Membrane Proteins: Molecular Dynamics Simulations
-
E. Lindahl and M. S. P. Sansom, Curr. Opin. Struct. Biol., 18, 425-431 (2008). Membrane Proteins: Molecular Dynamics Simulations.
-
(2008)
Curr. Opin. Struct. Biol.
, vol.18
, pp. 425-431
-
-
Lindahl, E.1
Sansom, M.S.P.2
-
6
-
-
45449098245
-
The Impact of Peptides on Lipid Membranes
-
H. Khandelia, J. H. Ipsen, and O. G. Mouritsen, Biochim. Biophys. Acta-Biomembranes, 1778, 1528-1536 (2008). The Impact of Peptides on Lipid Membranes.
-
(2008)
Biochim. Biophys. Acta-Biomembranes
, vol.1778
, pp. 1528-1536
-
-
Khandelia, H.1
Ipsen, J.H.2
Mouritsen, O.G.3
-
7
-
-
33750326604
-
Biological and Synthetic Membranes: What Can Be Learned from a Coarse-Grained Description?
-
M. Muller, K. Katsov, and M. Schick, Phys. Rep. Rev. Sect. Phys. Lett., 434, 113-176 (2006). Biological and Synthetic Membranes: What Can Be Learned from a Coarse-Grained Description?
-
(2006)
Phys. Rep. Rev. Sect. Phys. Lett.
, vol.434
, pp. 113-176
-
-
Muller, M.1
Katsov, K.2
Schick, M.3
-
8
-
-
33750980984
-
Mesoscopic Models of Biological Membranes
-
M. Venturoli, M. M. Sperotto, M. Kranenburg, and B. Smit, Phys. Rep. Rev. Sect. Phys. Lett., 437, 1-54 (2006). Mesoscopic Models of Biological Membranes.
-
(2006)
Phys. Rep. Rev. Sect. Phys. Lett.
, vol.437
, pp. 1-54
-
-
Venturoli, M.1
Sperotto, M.M.2
Kranenburg, M.3
Smit, B.4
-
9
-
-
84870726202
-
-
2nd edition, Academic Press, San Diego, CA
-
D. Frenkel and B. Smit, Understanding Molecular Simulation: From Algorithms to Applications, 2nd edition, Academic Press, San Diego, CA, 2002.
-
(2002)
Understanding Molecular Simulation: From Algorithms to Applications
-
-
Frenkel, D.1
Smit, B.2
-
10
-
-
0028258175
-
Molecular-Dynamics Simulation of a Phospholipid Membrane
-
E. Egberts, S. J. Marrink, and H. J. C. Berendsen, Eur. Biophys. J. Biophy. Lett., 22, 423-436 (1994). Molecular-Dynamics Simulation of a Phospholipid Membrane.
-
(1994)
Eur. Biophys. J. Biophy. Lett.
, vol.22
, pp. 423-436
-
-
Egberts, E.1
Marrink, S.J.2
Berendsen, H.J.C.3
-
11
-
-
0030999097
-
Molecular Dynamics Simulations of a Fluid Bilayer of Dipalmitoylphosphatidylcholine at Full Hydration, Constant Pressure, and Constant Temperature
-
O. Berger, O. Edholm, and F. Jahnig, Biophys. J., 72, 2002-2013 (1997). Molecular Dynamics Simulations of a Fluid Bilayer of Dipalmitoylphosphatidylcholine at Full Hydration, Constant Pressure, and Constant Temperature.
-
(1997)
Biophys. J.
, vol.72
, pp. 2002-2013
-
-
Berger, O.1
Edholm, O.2
Jahnig, F.3
-
12
-
-
0345413302
-
Structure of Sphingomyelin Bilayers: A Simulation Study
-
S. W. Chiu, S. Vasudevan, E. Jakobsson, R. J. Mashl, and H. L. Scott, Biophys. J., 85, 3624-3635 (2003). Structure of Sphingomyelin Bilayers: A Simulation Study.
-
(2003)
Biophys. J.
, vol.85
, pp. 3624-3635
-
-
Chiu, S.W.1
Vasudevan, S.2
Jakobsson, E.3
Mashl, R.J.4
Scott, H.L.5
-
13
-
-
65249111085
-
An Improved United Atom Force Field for Simulation of Mixed Lipid Bilayers
-
S. W. Chiu, S. A. Pandit, H. L. Scott, and E. Jakobsson, J. Phys. Chem. B, 113, 2748-2763 (2009). An Improved United Atom Force Field for Simulation of Mixed Lipid Bilayers.
-
(2009)
J. Phys. Chem. B
, vol.113
, pp. 2748-2763
-
-
Chiu, S.W.1
Pandit, S.A.2
Scott, H.L.3
Jakobsson, E.4
-
14
-
-
0037569250
-
A Consistent Potential Energy Parameter Set for Lipids: Dipalmitoylphosphatidylcholine as a Benchmark of the Gromos96 45a3 Force Field
-
I. Chandrasekhar, M. Kastenholz, R. D. Lins, C. Oostenbrink, L. D. Schuler, D. P. Tieleman, and W. F. Van Gunsteren, Eur. Biophys. J. Biophys. Lett., 32, 67-77 (2003). A Consistent Potential Energy Parameter Set for Lipids: Dipalmitoylphosphatidylcholine as a Benchmark of the Gromos96 45a3 Force Field.
-
(2003)
Eur. Biophys. J. Biophys. Lett.
, vol.32
, pp. 67-77
-
-
Chandrasekhar, I.1
Kastenholz, M.2
Lins, R.D.3
Oostenbrink, C.4
Schuler, L.D.5
Tieleman, D.P.6
Van Gunsteren, W.F.7
-
15
-
-
0029011701
-
A 2nd Generation Force-Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules
-
W. D. Cornell, P. Cieplak, C. I. Bayly, I. R. Gould, K. M. Merz, D. M. Ferguson, D. C. Spellmeyer, T. Fox, J. W. Caldwell, and P. A. Kollman, J. Am. Chem. Soc., 117, 5179-5197 (1995). A 2nd Generation Force-Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 5179-5197
-
-
Cornell, W.D.1
Cieplak, P.2
Bayly, C.I.3
Gould, I.R.4
Merz, K.M.5
Ferguson, D.M.6
Spellmeyer, D.C.7
Fox, T.8
Caldwell, J.W.9
Kollman, P.A.10
-
16
-
-
5244326635
-
United Atom Force Field for Phospholipid Membranes: Constant Pressure Molecular Dynamics Simulation of Dipalmitoylphosphatidylcholine/Water System
-
A. M. Smondyrev and M. L. Berkowitz J. Comput. Chem., 20, 531-545 (1999). United Atom Force Field for Phospholipid Membranes: Constant Pressure Molecular Dynamics Simulation of Dipalmitoylphosphatidylcholine/Water System.
-
(1999)
Comput. Chem.
, vol.20
, pp. 531-545
-
-
Smondyrev, A.M.1
Berkowitz, M.L.J.2
-
17
-
-
0034759459
-
Dynamical Properties of a Hydrated Lipid Bilayer from a Multinanosecond Molecular Dynamics Simulation
-
P. B. Moore, C. F. Lopez, and M. L. Klein, Biophys. J., 81, 2484-2494 (2001). Dynamical Properties of a Hydrated Lipid Bilayer from a Multinanosecond Molecular Dynamics Simulation.
-
(2001)
Biophys. J.
, vol.81
, pp. 2484-2494
-
-
Moore, P.B.1
Lopez, C.F.2
Klein, M.L.3
-
18
-
-
0034250744
-
An Improved Empirical Potential Energy Function for Molecular Simulations of Phospholipids
-
S. E. Feller and A. D. Mackerell, J. Phys. Chem. B, 104, 7510-7515 (2000). An Improved Empirical Potential Energy Function for Molecular Simulations of Phospholipids.
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 7510-7515
-
-
Feller, S.E.1
Mackerell, A.D.2
-
19
-
-
15744368593
-
An Ab Initio Study on the Torsional Surface of Alkanes and Its Effect on Molecular Simulations of Alkanes and a DPPC Bilayer
-
J. B. Klauda, B. R. Brooks, A. D. Mackerell, R. M. Venable, and R.W. Pastor, J. Phys. Chem. B, 109, 5300-5311 (2005). An Ab Initio Study on the Torsional Surface of Alkanes and Its Effect on Molecular Simulations of Alkanes and a DPPC Bilayer.
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 5300-5311
-
-
Klauda, J.B.1
Brooks, B.R.2
Mackerell, A.D.3
Venable, R.M.4
Pastor, R.W.5
-
20
-
-
48549102871
-
United-Atom Acyl Chains for CHARMM Phospholipids
-
J. Henin, W. Shinoda, and M. L. Klein, J. Phys. Chem. B, 112, 7008-7015 (2008). United-Atom Acyl Chains for CHARMM Phospholipids.
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 7008-7015
-
-
Henin, J.1
Shinoda, W.2
Klein, M.L.3
-
21
-
-
37649004863
-
Structure and Dynamics of Phospholipid Bilayers Using Recently Developed General All-Atom Force Fields
-
L. Rosso and I. R. Gould, J. Comput. Chem., 29, 24-37 (2008). Structure and Dynamics of Phospholipid Bilayers Using Recently Developed General All-Atom Force Fields.
-
(2008)
J. Comput. Chem.
, vol.29
, pp. 24-37
-
-
Rosso, L.1
Gould, I.R.2
-
22
-
-
0037678992
-
Molecular Dynamics Simulation of a Dipalmitoylphosphatidylcholine Bilayer with NaCl
-
S. A. Pandit, D. Bostick, and M. L. Berkowitz, Biophys. J., 84, 3743-3750 (2003). Molecular Dynamics Simulation of a Dipalmitoylphosphatidylcholine Bilayer with NaCl.
-
(2003)
Biophys. J.
, vol.84
, pp. 3743-3750
-
-
Pandit, S.A.1
Bostick, D.2
Berkowitz, M.L.3
-
23
-
-
0041320867
-
Effect of Sodium Chloride on a Lipid Bilayer
-
R. A. Bockmann, A. Hac, T. Heimburg, and H. Grubmuller, Biophys. J., 85, 1647-1655 (2003). Effect of Sodium Chloride on a Lipid Bilayer.
-
(2003)
Biophys. J.
, vol.85
, pp. 1647-1655
-
-
Bockmann, R.A.1
Hac, A.2
Heimburg, T.3
Grubmuller, H.4
-
24
-
-
4544290164
-
Multistep Binding of Divalent Cations to Phospholipid Bilayers: A Molecular Dynamics Study
-
R. A. Bockmann and H. Grubmuller, Angewandte Chemie Int. Ed., 43, 1021-1024 (2004). Multistep Binding of Divalent Cations to Phospholipid Bilayers: A Molecular Dynamics Study.
-
(2004)
Angewandte Chemie Int. Ed.
, vol.43
, pp. 1021-1024
-
-
Bockmann, R.A.1
Grubmuller, H.2
-
25
-
-
39849104464
-
Effect of NaCl and KCl on Phosphatidylcholine and Phosphatidylethanolamine Lipid Membranes: Insight from Atomic-Scale Simulations for Understanding Salt-Induced Effects in the Plasma Membrane
-
A. A. Gurtovenko and I. Vattulainen, J. Phys. Chem. B, 112, 1953-1962 (2008). Effect of NaCl and KCl on Phosphatidylcholine and Phosphatidylethanolamine Lipid Membranes: Insight from Atomic-Scale Simulations for Understanding Salt-Induced Effects in the Plasma Membrane.
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 1953-1962
-
-
Gurtovenko, A.A.1
Vattulainen, I.2
-
28
-
-
0037183043
-
Ions at the Air/Water Interface
-
P. Jungwirth and D. J. Tobias, J. Phys. Chem. B, 106, 6361-6373 (2002). Ions at the Air/Water Interface.
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 6361-6373
-
-
Jungwirth, P.1
Tobias, D.J.2
-
29
-
-
0342876686
-
Electronegativity Equalization Method for the Calculation of Atomic Charges in Molecules
-
W. J. Mortier, S. K. Ghosh, and S. Shankar, J. Am. Chem. Soc., 108, 4315-4320 (1986). Electronegativity Equalization Method for the Calculation of Atomic Charges in Molecules.
-
(1986)
J. Am. Chem. Soc.
, vol.108
, pp. 4315-4320
-
-
Mortier, W.J.1
Ghosh, S.K.2
Shankar, S.3
-
30
-
-
58849129143
-
Molecular Dynamics Simulations of a DMPC Bilayer Using Nonadditive Interaction Models
-
J. E. Davis, O. Rahaman, and S. Patel, Biophys. J., 96, 385-402 (2009). Molecular Dynamics Simulations of a DMPC Bilayer Using Nonadditive Interaction Models.
-
(2009)
Biophys. J.
, vol.96
, pp. 385-402
-
-
Davis, J.E.1
Rahaman, O.2
Patel, S.3
-
31
-
-
0029737564
-
What Is the Surface Tension of a Lipid Bilayer Membrane?
-
F. Jahnig, Biophys. J., 71, 1348-1349 (1996). What Is the Surface Tension of a Lipid Bilayer Membrane?
-
(1996)
Biophys. J.
, vol.71
, pp. 1348-1349
-
-
Jahnig, F.1
-
32
-
-
0002626305
-
Determination of the Structure of Lipid Bilayers
-
S. A. Simon and E. A. Disalvo, Eds., CRC Press, Boca Raton, FL
-
S.H. White and M. C. Wiener, in Permeability and Stability of Lipid Bilayers, S.A. Simon and E.A. Disalvo, Eds., CRC Press, Boca Raton, FL, 1995, pp. 1-19. Determination of the Structure of Lipid Bilayers.
-
(1995)
Permeability and Stability of Lipid Bilayers
, pp. 1-19
-
-
White, S.H.1
Wiener, M.C.2
-
33
-
-
51649129838
-
Lipid Bilayer Structure Determined by the Simultaneous Analysis of Neutron and X-Ray Scattering Data
-
N. Kucerka, J. F. Nagle, J. N. Sachs, S. E. Feller, J. Pencer, A. Jackson, and J. Katsaras, Biophys. J., 95, 2356-2367 (2008). Lipid Bilayer Structure Determined by the Simultaneous Analysis of Neutron and X-Ray Scattering Data.
-
(2008)
Biophys. J.
, vol.95
, pp. 2356-2367
-
-
Kucerka, N.1
Nagle, J.F.2
Sachs, J.N.3
Feller, S.E.4
Pencer, J.5
Jackson, A.6
Katsaras, J.7
-
34
-
-
47749126522
-
Liquid-Liquid Domains in Bilayers Detected by Wide Angle X-Ray Scattering
-
T. T. Mills, S. Tristram-Nagle, F. A. Heberle, N. F. Morales, J. Zhao, J.Wu, G. E. S. Toombes, J. F. Nagle, and G. W. Feigenson, Biophys. J., 95, 682-690 (2008). Liquid-Liquid Domains in Bilayers Detected by Wide Angle X-Ray Scattering.
-
(2008)
Biophys. J.
, vol.95
, pp. 682-690
-
-
Mills, T.T.1
Tristram-Nagle, S.2
Heberle, F.A.3
Morales, N.F.4
Zhao, J.5
Wu, J.6
Toombes, G.E.S.7
Nagle, J.F.8
Feigenson, G.W.9
-
35
-
-
0017752553
-
Deuterium Magnetic-Resonance-Theory and Application to Lipid-Membranes
-
J. Seelig, Q. Rev. Biophys., 10, 353-418 (1977). Deuterium Magnetic-Resonance-Theory and Application to Lipid-Membranes.
-
(1977)
Q. Rev. Biophys.
, vol.10
, pp. 353-418
-
-
Seelig, J.1
-
36
-
-
0033932837
-
Effect of Chain Length and Unsaturation on Elasticity of Lipid Bilayers
-
W. Rawicz, K. C. Olbrich, T. McIntosh, D. Needham, and E. Evans, Biophys. J., 79, 328-339 (2000). Effect of Chain Length and Unsaturation on Elasticity of Lipid Bilayers.
-
(2000)
Biophys. J.
, vol.79
, pp. 328-339
-
-
Rawicz, W.1
Olbrich, K.C.2
McIntosh, T.3
Needham, D.4
Evans, E.5
-
37
-
-
35748967575
-
Acyl Chain Order Parameter Profiles in Phospholipid Bilayers: Computation from Molecular Dynamics Simulations and Comparison with H-2 NMR Experiments
-
L. S. Vermeer, B. L. De Groot, V. Reat, A. Milon, and J. Czaplicki, Eur. Biophys. J. Biophys. Lett., 36, 919-931 (2007). Acyl Chain Order Parameter Profiles in Phospholipid Bilayers: Computation from Molecular Dynamics Simulations and Comparison with H-2 NMR Experiments.
-
(2007)
Eur. Biophys. J. Biophys. Lett.
, vol.36
, pp. 919-931
-
-
Vermeer, L.S.1
De Groot, B.L.2
Reat, V.3
Milon, A.4
Czaplicki, J.5
-
38
-
-
0033932839
-
Mesoscopic Undulations and Thickness Fluctuations in Lipid Bilayers from Molecular Dynamics Simulations
-
E. Lindahl and O. Edholm, Biophys. J., 79, 426-433 (2000). Mesoscopic Undulations and Thickness Fluctuations in Lipid Bilayers from Molecular Dynamics Simulations.
-
(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
-
S. J. Marrink and A. E. Mark, J. Phys. Chem. B, 105, 6122-6127 (2001). Effect of Undulations on Surface Tension in Simulated Bilayers.
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 6122-6127
-
-
Marrink, S.J.1
Mark, A.E.2
-
40
-
-
47349125098
-
Cholesterol Packing around Lipids with Saturated and Unsaturated Chains: A Simulation Study
-
S. A. Pandit, S. W. Chiu, E. Jakobsson, A. Grama, and H. L. Scott, Langmuir, 24, 6858-6865 (2008). Cholesterol Packing around Lipids with Saturated and Unsaturated Chains: A Simulation Study.
-
(2008)
Langmuir
, vol.24
, pp. 6858-6865
-
-
Pandit, S.A.1
Chiu, S.W.2
Jakobsson, E.3
Grama, A.4
Scott, H.L.5
-
41
-
-
36048937741
-
Short-Range Order and Collective Dynamics of DMPC Bilayers: A Comparison between Molecular Dynamics Simulations, X-Ray, and Neutron Scattering Experiments
-
J. S. Hub, T. Salditt, M. C. Rheinstader, and B. L. De Groot, Biophys. J., 93, 3156-3168 (2007). Short-Range Order and Collective Dynamics of DMPC Bilayers: A Comparison between Molecular Dynamics Simulations, X-Ray, and Neutron Scattering Experiments.
-
(2007)
Biophys. J.
, vol.93
, pp. 3156-3168
-
-
Hub, J.S.1
Salditt, T.2
Rheinstader, M.C.3
De Groot, B.L.4
-
42
-
-
33646170214
-
Simulation-Based Methods for Interpreting X-Ray Data from Lipid Bilayers
-
J. B. Klauda, N. Kucerka, B. R. Brooks, R. W. Pastor, and J. F. Nagle, Biophys. J., 90, 2796-2807 (2006). Simulation-Based Methods for Interpreting X-Ray Data from Lipid Bilayers.
-
(2006)
Biophys. J.
, vol.90
, pp. 2796-2807
-
-
Klauda, J.B.1
Kucerka, N.2
Brooks, B.R.3
Pastor, R.W.4
Nagle, J.F.5
-
43
-
-
28844464805
-
Area Compressibility and Buckling of Amphiphilic Bilayers in Molecular Dynamics Simulations
-
W. K. den Otter, J. Chem. Phys., 123, (2005). Area Compressibility and Buckling of Amphiphilic Bilayers in Molecular Dynamics Simulations.
-
(2005)
J. Chem. Phys.
, vol.123
-
-
den Otter, W.K.1
-
44
-
-
77958588262
-
-
John Wiley and Sons, New York
-
T. J. Giese, O. N. Faza, and D. York, Linear Scaling Ewald Methods in Molecular Simulations, John Wiley and Sons, New York, 2009.
-
(2009)
Linear Scaling Ewald Methods in Molecular Simulations
-
-
Giese, T.J.1
Faza, O.N.2
York, D.3
-
45
-
-
33645961739
-
A Smooth Particle Mesh Ewald Method
-
U. Essmann, L. Perera, M. L. Berkowitz, T. Darden, H. Lee, and L. G. Pedersen, J. Chem. Phys., 103, 8577-8593 (1995). A Smooth Particle Mesh Ewald Method.
-
(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
-
46
-
-
0037636309
-
The Implementation of Slab Geometry for Membrane-Channel Molecular Dynamics Simulations
-
D. Bostick and M. L. Berkowitz, Biophys. J., 85, 97-107 (2003). The Implementation of Slab Geometry for Membrane-Channel Molecular Dynamics Simulations.
-
(2003)
Biophys. J.
, vol.85
, pp. 97-107
-
-
Bostick, D.1
Berkowitz, M.L.2
-
47
-
-
0000202909
-
Ewald Summation for Systems with Slab Geometry
-
I. C. Yeh and M. Berkowitz, J. Chem. Phys., 111, 3155-3162 (1999). Ewald Summation for Systems with Slab Geometry.
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 3155-3162
-
-
Yeh, I.C.1
Berkowitz, M.2
-
48
-
-
77958595061
-
Trajectory Based Rare Event Simulation
-
K. B. Lipkowitz, Ed., John Wiley and Sons. New York
-
P. Bolhuis and C. Dellago, in Reviews in Computational Chemistry, Vol. 27, K. B. Lipkowitz, Ed., John Wiley and Sons. New York, 2011, pp. 111-210. Trajectory Based Rare Event Simulation.
-
(2011)
Reviews in Computational Chemistry
, vol.27
, pp. 111-210
-
-
Bolhuis, P.1
Dellago, C.2
-
49
-
-
78650612270
-
Configurational Bias Monte Carlo: A New Sampling Scheme for Flexible Chains
-
J. I. Siepmann and D. Frenkel, Mol. Phys., 75, 59-70 (1992). Configurational Bias Monte Carlo: A New Sampling Scheme for Flexible Chains.
-
(1992)
Mol. Phys.
, vol.75
, pp. 59-70
-
-
Siepmann, J.I.1
Frenkel, D.2
-
50
-
-
0001659533
-
Application of a Combined Monte Carlo and Molecular Dynamics Method to the Simulation of a Dipalmitoyl Phosphatidylcholine Lipid Bilayer
-
S.-W. Chiu, M. Clark, E. Jakobsson, S. Subramaniam, and H. L. Scott, J. Comput. Chem., 20, 1153-1164 (1999). Application of a Combined Monte Carlo and Molecular Dynamics Method to the Simulation of a Dipalmitoyl Phosphatidylcholine Lipid Bilayer.
-
(1999)
J. Comput. Chem.
, vol.20
, pp. 1153-1164
-
-
Chiu, S.-W.1
Clark, M.2
Jakobsson, E.3
Subramaniam, S.4
Scott, H.L.5
-
51
-
-
0035932157
-
Combined Monte Carlo and Molecular Dynamics Simulation of Hydrated Dipalmitoyl-Phosphatidylcholine-Cholesterol Lipid Bilayers
-
S.-W. Chiu, E. Jakobsson, and H. L. Scott, J. Chem. Phys., 114, 5435-5443 (2001). Combined Monte Carlo and Molecular Dynamics Simulation of Hydrated Dipalmitoyl-Phosphatidylcholine-Cholesterol Lipid Bilayers
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 5435-5443
-
-
Chiu, S.-W.1
Jakobsson, E.2
Scott, H.L.3
-
52
-
-
0037460578
-
Efficient Monte Carlo Sampling of Long Molecular Chains Using Local Moves, Tested on a Solvated Lipid Bilayer
-
M. Mezei, J. Chem. Phys., 118, 3874-3879 (2003). Efficient Monte Carlo Sampling of Long Molecular Chains Using Local Moves, Tested on a Solvated Lipid Bilayer.
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 3874-3879
-
-
Mezei, M.1
-
53
-
-
0000013131
-
Novel Configurational-Bias Monte Carlo Method for Branched Molecules. Transferable Potentials for Phase Equilibria. 2. United-Atom Description of Branched Alkanes
-
M. G. Martin and J. I. Siepmann, J. Phys. Chem. B, 103, 4508-4517 (1999). Novel Configurational-Bias Monte Carlo Method for Branched Molecules. Transferable Potentials for Phase Equilibria. 2. United-Atom Description of Branched Alkanes.
-
(1999)
J. Phys. Chem. B
, vol.103
, pp. 4508-4517
-
-
Martin, M.G.1
Siepmann, J.I.2
-
54
-
-
29044442254
-
Molecular Modeling of Organic and Biomolecular Systems Using BOSS and MCPRO
-
W. L. Jorgensen and J. Tirado-Rives, J. Comput. Chem., 26, 1689-1700 (2005). Molecular Modeling of Organic and Biomolecular Systems Using BOSS and MCPRO.
-
(2005)
J. Comput. Chem.
, vol.26
, pp. 1689-1700
-
-
Jorgensen W.L1
Tirado-Rives, J.2
-
55
-
-
33645154444
-
Monte Carlo Simulations of Biomolecules: The MC Module in CHARMM
-
J. Hu, A. Ma, and A. R. Dinner, J. Comput. Chem., 27, 203-216 (2006). Monte Carlo Simulations of Biomolecules: The MC Module in CHARMM.
-
(2006)
J. Comput. Chem.
, vol.27
, pp. 203-216
-
-
Hu, J.1
Ma, A.2
Dinner, A.R.3
-
56
-
-
0033261015
-
Monte Carlo Algorithms for Simulating Systems with Adiabatic Separation of Electronic and Nuclear Degrees of Freedom
-
B. Chen and J. I. Siepmann, Theor. Chem. Acc., 103, 87-104 (1999). Monte Carlo Algorithms for Simulating Systems with Adiabatic Separation of Electronic and Nuclear Degrees of Freedom.
-
(1999)
Theor. Chem. Acc.
, vol.103
, pp. 87-104
-
-
Chen, B.1
Siepmann, J.I.2
-
57
-
-
84893016902
-
Grand-Canonical Ensemble Monte Carlo Study of Dense Liquid Lennard-Jones, Soft Spheres, and Water
-
M. Mezei, Mol. Phys., 61, 565-582 (1987). Grand-Canonical Ensemble Monte Carlo Study of Dense Liquid Lennard-Jones, Soft Spheres, and Water.
-
(1987)
Mol. Phys.
, vol.61
, pp. 565-582
-
-
Mezei, M.1
-
58
-
-
0000540343
-
Grand Canonical Ensemble Monte Carlo Simulation of a Lipid Bilayer Using Extension Biased Rotations
-
P. Jedlovszky and M. Mezei, J. Chem. Phys., 111, 10770-10773 (1999). Grand Canonical Ensemble Monte Carlo Simulation of a Lipid Bilayer Using Extension Biased Rotations.
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 10770-10773
-
-
Jedlovszky, P.1
Mezei, M.2
-
59
-
-
0030949124
-
Functional Rafts in Cell Membranes
-
K. Simons and E. Ikonen, Nature, 387, 569-572 (1997). Functional Rafts in Cell Membranes.
-
(1997)
Nature
, vol.387
, pp. 569-572
-
-
Simons, K.1
Ikonen, E.2
-
60
-
-
1842482773
-
Model Systems, Lipid Rafts, and Cell Membranes
-
K. Simons and W. L. C. Vaz, Ann. Rev. Biophys. Biomolec. Struct., 33, 269-295 (2004). Model Systems, Lipid Rafts, and Cell Membranes.
-
(2004)
Ann. Rev. Biophys. Biomolec. Struct.
, vol.33
, pp. 269-295
-
-
Simons, K.1
Vaz, W.L.C.2
-
61
-
-
0023666538
-
Phase-Equilibria in the Phosphatidylcholine-Cholesterol System
-
J. H. Ipsen, G. Karlstrom, O. G. Mouritsen, H. Wennerstrom, and M. J. Zuckermann, Biochim. Biophys. Acta, 905, 162-172 (1987). Phase-Equilibria in the Phosphatidylcholine-Cholesterol System.
-
(1987)
Biochim. Biophys. Acta
, vol.905
, pp. 162-172
-
-
Ipsen, J.H.1
Karlstrom, G.2
Mouritsen, O.G.3
Wennerstrom, H.4
Zuckermann, M.J.5
-
63
-
-
0035016931
-
Ternary Phase Diagram of Dipalmitoyl-PC/Dilauroyl-PC/Cholesterol: Nanoscopic Domain Formation Driven by Cholesterol
-
G.W. Feigenson and J. T. Buboltz, Biophys. J., 80, 2775-2788 (2001). Ternary Phase Diagram of Dipalmitoyl-PC/Dilauroyl-PC/Cholesterol: Nanoscopic Domain Formation Driven by Cholesterol.
-
(2001)
Biophys. J.
, vol.80
, pp. 2775-2788
-
-
Feigenson, G.W.1
Buboltz, J.T.2
-
64
-
-
0036194867
-
Structure, Composition, and Peptide Binding Properties of Detergent Soluble Bilayers and Detergent, Resistant Rafts
-
M. Gandhavadi, D. Allende, A. Vidal, S. A. Simon, and T. J. Mcintosh, Biophys. J., 82, 1469-1482 (2002). Structure, Composition, and Peptide Binding Properties of Detergent Soluble Bilayers and Detergent, Resistant Rafts.
-
(2002)
Biophys. J.
, vol.82
, pp. 1469-1482
-
-
Gandhavadi, M.1
Allende, D.2
Vidal, A.3
Simon, S.A.4
Mcintosh, T.J.5
-
65
-
-
58149202333
-
Detailed Molecular Dynamics Simulations of Model Biological Membranes Containing Cholesterol
-
M. L. Berkowitz, Biochim. Biophys. Acta Biomembranes, 1788, 86-96 (2009). Detailed Molecular Dynamics Simulations of Model Biological Membranes Containing Cholesterol.
-
(2009)
Biochim. Biophys. Acta Biomembranes
, vol.1788
, pp. 86-96
-
-
Berkowitz, M.L.1
-
66
-
-
0034246046
-
Saturated Phospholipids with High Melting Temperatures Form Complexes with Cholesterol in Monolayers
-
S. L. Keller, A. Radhakrishnan, and H. M. McConnell, J. Phys. Chem. B, 104, 7522-7527 (2000). Saturated Phospholipids with High Melting Temperatures Form Complexes with Cholesterol in Monolayers.
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 7522-7527
-
-
Keller, S.L.1
Radhakrishnan, A.2
McConnell, H.M.3
-
67
-
-
0037429704
-
Condensed Complexes of Cholesterol and Phospholipids
-
H. M. McConnell and A. Radhakrishnan, Biochim. Biophys. Acta, 1610, 159-173 (2003). Condensed Complexes of Cholesterol and Phospholipids.
-
(2003)
Biochim. Biophys. Acta
, vol.1610
, pp. 159-173
-
-
McConnell, H.M.1
Radhakrishnan, A.2
-
69
-
-
36249027008
-
Molecular Dynamics Simulations of Bilayers Containing Mixtures of Sphingomyelin with Cholesterol and Phosphatidylcholine with Cholesterol
-
Z. Zhang, S. Y. Bhide, and M. L. Berkowitz, J. Phys. Chem. B, 111, 12888-12897 (2007). Molecular Dynamics Simulations of Bilayers Containing Mixtures of Sphingomyelin with Cholesterol and Phosphatidylcholine with Cholesterol.
-
(2007)
J. Phys. Chem. B
, vol.111
, pp. 12888-12897
-
-
Zhang, Z.1
Bhide, S.Y.2
Berkowitz, M.L.3
-
70
-
-
0033065591
-
A Microscopic Interaction Model of Maximum Solubility of Cholesterol in Lipid Bilayers
-
J. Y. Huang and G. W. Feigenson, Biophys. J., 76, 2142-2157 (1999). A Microscopic Interaction Model of Maximum Solubility of Cholesterol in Lipid Bilayers.
-
(1999)
Biophys. J.
, vol.76
, pp. 2142-2157
-
-
Huang, J.Y.1
Feigenson, G.W.2
-
71
-
-
0032817738
-
Lateral Organisation of Membrane Lipids-The Superlattice View
-
P. Somerharju, J. A. Virtanen, and K. H. Cheng, Biochim. Biophys. Acta Molec. Cell Biol. Lipids, 1440, 32-48 (1999). Lateral Organisation of Membrane Lipids-The Superlattice View.
-
(1999)
Biochim. Biophys. Acta Molec. Cell Biol. Lipids
, vol.1440
, pp. 32-48
-
-
Somerharju, P.1
Virtanen, J.A.2
Cheng, K.H.3
-
72
-
-
34948840473
-
Molecular Dynamics Studies of the Molecular Structure and Interactions of Cholesterol Superlattices and Random Domains in an Unsaturated Phosphatidylcholine Bilayer Membrane
-
Q. Zhu, K. H. Cheng, and M. W. Vaughn, J. Phys. Chem. B, 111, 11021-11031 (2007). Molecular Dynamics Studies of the Molecular Structure and Interactions of Cholesterol Superlattices and Random Domains in an Unsaturated Phosphatidylcholine Bilayer Membrane.
-
(2007)
J. Phys. Chem. B
, vol.111
, pp. 11021-11031
-
-
Zhu, Q.1
Cheng, K.H.2
Vaughn, M.W.3
-
73
-
-
4143120994
-
Sphingomyelin-Cholesterol Domains in Phospholipid Membranes: Atomistic Simulation
-
S. A. Pandit, S. Vasudevan, S.W. Chiu, R. J. Mashl, E. Jakobsson, and H. L. Scott, Biophys. J., 87, 1092-1100 (2004). Sphingomyelin-Cholesterol Domains in Phospholipid Membranes: Atomistic Simulation.
-
(2004)
Biophys. J.
, vol.87
, pp. 1092-1100
-
-
Pandit, S.A.1
Vasudevan, S.2
Chiu, S.W.3
Mashl, R.J.4
Jakobsson, E.5
Scott, H.L.6
-
74
-
-
58149308560
-
Phenomenological Model and Phase Behavior of Saturated and Unsaturated Lipids and Cholesterol
-
G. Garbes-Putzel and M. Schick, Biophys. J., 95, 4756 (2008). Phenomenological Model and Phase Behavior of Saturated and Unsaturated Lipids and Cholesterol.
-
(2008)
Biophys. J.
, vol.95
, pp. 4756
-
-
Garbes-Putzel, G.1
Schick, M.2
-
75
-
-
34047195768
-
Investigation of Domain Formation in Sphingomyelin/Cholesterol/-POPC Mixtures by Fluorescence Resonance Energy Transfer and Monte Carlo Simulations
-
M. L. Frazier, J. R. Wright, A. Pokorny, and P. F. F. Almeida, Biophys. J., 92, 2422-2433 (2007). Investigation of Domain Formation in Sphingomyelin/Cholesterol/-POPC Mixtures by Fluorescence Resonance Energy Transfer and Monte Carlo Simulations.
-
(2007)
Biophys. J.
, vol.92
, pp. 2422-2433
-
-
Frazier, M.L.1
Wright, J.R.2
Pokorny, A.3
Almeida, P.F.F.4
-
76
-
-
43049156443
-
Energetics of Cholesterol Transfer between Lipid Bilayers
-
Z. Zhang, L. Lu, and M. L. Berkowitz, J. Phys. Chem. B, 112, 3807-3811 (2008). Energetics of Cholesterol Transfer between Lipid Bilayers.
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 3807-3811
-
-
Zhang, Z.1
Lu, L.2
Berkowitz, M.L.3
-
77
-
-
0342929614
-
Non-Physical Sampling Distributions in Monte-Carlo Free-Energy Estimation-Umbrella Sampling
-
G. M. Torrie and J. P. Valleau, J. Comput. Phys., 23, 187-199 (1977). Non-Physical Sampling Distributions in Monte-Carlo Free-Energy Estimation-Umbrella Sampling.
-
(1977)
J. Comput. Phys.
, vol.23
, pp. 187-199
-
-
Torrie, G.M.1
Valleau, J.P.2
-
78
-
-
33744812701
-
Thermodynamic Comparison of the Interactions of Cholesterol with Unsaturated Phospholipid and Sphingomyelins
-
A. Tsamaloukas, H. Szadkowska, and H. Heerklotz, Biophys. J., 90, 4479-4487 (2006). Thermodynamic Comparison of the Interactions of Cholesterol with Unsaturated Phospholipid and Sphingomyelins.
-
(2006)
Biophys. J.
, vol.90
, pp. 4479-4487
-
-
Tsamaloukas, A.1
Szadkowska, H.2
Heerklotz, H.3
-
79
-
-
0001837595
-
Time Scales of Lipid Dynamics and Molecular Dynamics
-
K. M. Merz and B. Roux, Eds., Birkhauser, Boston, MA
-
R. W. Pastor and S. E. Feller. in Biological Membranes: A Molecular Perspective from Computation and Experiment, K. M. Merz and B. Roux, Eds., Birkhauser, Boston, MA, 1996, Time Scales of Lipid Dynamics and Molecular Dynamics.
-
(1996)
Biological Membranes: A Molecular Perspective from Computation and Experiment
-
-
Pastor, R.W.1
Feller, S.E.2
-
80
-
-
4444293963
-
Simulation of Domain Formation in DLPC-DSPC Bilayers
-
R. Faller and S.-J. Marrink, Langmuir, 20, 7686-7693 (2004). Simulation of Domain Formation in DLPC-DSPC Bilayers.
-
(2004)
Langmuir
, vol.20
, pp. 7686-7693
-
-
Faller, R.1
Marrink, S.-J.2
-
81
-
-
27644502867
-
Complementary Matching in Domain Formation within Lipid Bilayers
-
M. J. Stevens, J. Am. Chem. Soc., 127, 15330-15331 (2005). Complementary Matching in Domain Formation within Lipid Bilayers.
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 15330-15331
-
-
Stevens, M.J.1
-
82
-
-
33244481546
-
Coarse-Grained Model Simulations of Mixed Lipid Systems: Composition and Line Tension of a Stabilized Bilayer Edge
-
J. de Joannis, F. Y. Jiang, and J. T. Kindt, Langmuir, 22, 998-1005 (2006). Coarse-Grained Model Simulations of Mixed Lipid Systems: Composition and Line Tension of a Stabilized Bilayer Edge.
-
(2006)
Langmuir
, vol.22
, pp. 998-1005
-
-
de Joannis, J.1
Jiang, F.Y.2
Kindt, J.T.3
-
83
-
-
33847765026
-
Simulations of Edge Behavior in a Mixed-Lipid Bilayer: Fluctuation Analysis
-
Y. Jiang and J. T. Kindt, J. Chem. Phys., 126, 045105 (2007). Simulations of Edge Behavior in a Mixed-Lipid Bilayer: Fluctuation Analysis.
-
(2007)
J. Chem. Phys.
, vol.126
, pp. 045105
-
-
Jiang, Y.1
Kindt, J.T.2
-
84
-
-
61949390790
-
Systematic Coarse-Graining of a Multicomponent Lipid Bilayer
-
L. Lu and G. A. Voth, J. Phys. Chem. B, 113, 1501-1510 (2009). Systematic Coarse-Graining of a Multicomponent Lipid Bilayer.
-
(2009)
J. Phys. Chem. B
, vol.113
, pp. 1501-1510
-
-
Lu, L.1
Voth, G.A.2
-
85
-
-
18844362955
-
Folding Is Not Required for Bilayer Insertion: Replica Exchange Simulations of an Alpha-Helical Peptide with an Explicit Lipid Bilayer
-
H. Nymeyer, T. B. Woolf, and A. E. Garcia, Proteins Struc. Funct. Bioinformatics, 59, 783-790 (2005). Folding Is Not Required for Bilayer Insertion: Replica Exchange Simulations of an Alpha-Helical Peptide with an Explicit Lipid Bilayer.
-
(2005)
Proteins Struc. Funct. Bioinformatics
, vol.59
, pp. 783-790
-
-
Nymeyer, H.1
Woolf, T.B.2
Garcia, A.E.3
-
86
-
-
17344389297
-
Lateral Diffusion Studied by Pulsed Field Gradient NMR on Oriented Lipid Membranes
-
G. Or̈add and G. Lindblom, Mag. Res. Chem., 42, 123-131 (2004). Lateral Diffusion Studied by Pulsed Field Gradient NMR on Oriented Lipid Membranes.
-
(2004)
Mag. Res. Chem.
, vol.42
, pp. 123-131
-
-
Or̈add, G.1
Lindblom, G.2
-
87
-
-
25444481354
-
Replica Exchange with Solute Tempering: A Method for Sampling Biological Systems in Explicit Water
-
P. Liu, B. Kim, R. A. Friesner, and B. J. Berne, Proc. Nat. Acad. Sci. U.S.A., 102, 13749-13754 (2005). Replica Exchange with Solute Tempering: A Method for Sampling Biological Systems in Explicit Water.
-
(2005)
Proc. Nat. Acad. Sci. U.S.A.
, vol.102
, pp. 13749-13754
-
-
Liu, P.1
Kim, B.2
Friesner, R.A.3
Berne, B.J.4
-
88
-
-
33847717840
-
Smart Resolution Replica Exchange: An Efficient Algorithm for Exploring Complex Energy Landscapes
-
P. Liu and G. A. Voth, J. Chem. Phys., 126, (2007). Smart Resolution Replica Exchange: An Efficient Algorithm for Exploring Complex Energy Landscapes.
-
(2007)
J. Chem. Phys.
, vol.126
-
-
Liu, P.1
Voth, G.A.2
-
89
-
-
1442312900
-
The Binary Mixing Behavior of Phospholipids in a Bilayer: A Molecular Dynamics Study
-
A. H. De Vries, A. E. Mark, and S. J. Marrink, J. Phys. Chem. B, 108, 2454-2463 (2004). The Binary Mixing Behavior of Phospholipids in a Bilayer: A Molecular Dynamics Study.
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 2454-2463
-
-
De Vries, A.H.1
Mark, A.E.2
Marrink, S.J.3
-
90
-
-
84946312981
-
Monte Carlo Simulations of Mixed Monolayers
-
J. I. Siepmann and I. R. McDonald, Mol. Phys., 75, 255-259 (1992). Monte Carlo Simulations of Mixed Monolayers.
-
(1992)
Mol. Phys.
, vol.75
, pp. 255-259
-
-
Siepmann, J.I.1
McDonald, I.R.2
-
91
-
-
33846398497
-
Equilibrium Distributions of Dipalmitoyl Phosphatidylcholine and Dilauroyl Phosphatidylcholine in a Mixed Lipid Bilayer: Atomistic Semigrand Canonical Ensemble Simulations
-
J. De Joannis, Y. Jiang, F. Yin, and J. T. Kindt, J. Phys. Chem. B, 110, 25875-25882 (2006). Equilibrium Distributions of Dipalmitoyl Phosphatidylcholine and Dilauroyl Phosphatidylcholine in a Mixed Lipid Bilayer: Atomistic Semigrand Canonical Ensemble Simulations.
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 25875-25882
-
-
De Joannis, J.1
Jiang, Y.2
Yin, F.3
Kindt, J.T.4
-
92
-
-
0003516749
-
-
Fourth edition, W. H. Freeman, New York
-
P. W. Atkins, Physical Chemistry, Fourth edition, W. H. Freeman, New York, 1990.
-
(1990)
Physical Chemistry
-
-
Atkins, P.W.1
-
93
-
-
3042812311
-
Molecular Dynamics Simulations of the Lipid Bilayer Edge
-
F. Y. Jiang, Y. Bouret, and J. T. Kindt, Biophys. J., 87, 182-192 (2004). Molecular Dynamics Simulations of the Lipid Bilayer Edge.
-
(2004)
Biophys. J.
, vol.87
, pp. 182-192
-
-
Jiang, F.Y.1
Bouret, Y.2
Kindt, J.T.3
-
94
-
-
2942690095
-
Molecular Dynamics Simulation of Lipid Reorientation at Bilayer Edges
-
P. M. Kasson and V. S. Pande, Biophys. J., 86, 3744-3749 (2004). Molecular Dynamics Simulation of Lipid Reorientation at Bilayer Edges.
-
(2004)
Biophys. J.
, vol.86
, pp. 3744-3749
-
-
Kasson, P.M.1
Pande, V.S.2
-
95
-
-
11044239396
-
Nucleation Free Energy of Pore Formation in an Amphiphilic Bilayer Studied by Molecular Dynamics Simulations
-
T. V. Tolpekina,W. K. den Otter, andW. J. Briels, J. Chem. Phys., 121, 12060-12066 (2004). Nucleation Free Energy of Pore Formation in an Amphiphilic Bilayer Studied by Molecular Dynamics Simulations.
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 12060-12066
-
-
Tolpekina, T.V.1
den Otter, W.K.2
Briels, W.J.3
-
96
-
-
0041859576
-
Kinetics of the Micelle-to-Vesicle Transition: Aqueous Lecithin-Bile Salt Mixtures
-
J. Leng, S. U. Egelhaaf, and M. E. Cates, Biophys. J., 85, 1624-1646 (2003). Kinetics of the Micelle-to-Vesicle Transition: Aqueous Lecithin-Bile Salt Mixtures.
-
(2003)
Biophys. J.
, vol.85
, pp. 1624-1646
-
-
Leng, J.1
Egelhaaf, S.U.2
Cates, M.E.3
-
97
-
-
21244486782
-
Reinvestigation by Phosphorus NMR of Lipid Distribution in Micelles
-
M. N. Triba, D. E. Warschawski, and P. F. Devaux, Biophys. J., 88, 1887-1901 (2005). Reinvestigation by Phosphorus NMR of Lipid Distribution in Micelles.
-
(2005)
Biophys. J.
, vol.88
, pp. 1887-1901
-
-
Triba, M.N.1
Warschawski, D.E.2
Devaux, P.F.3
-
98
-
-
55549092456
-
Bilayer Edge and Curvature Effects on Partitioning of Lipids by Tail Length: Atomistic Simulations
-
H.Wang, J. De Joannis,Y. Jiang, J. C. Gaulding, B. Albrecht, F.Yin, K. Khanna, and J. T. Kindt, Biophys. J., 95, 2647-2657 (2008). Bilayer Edge and Curvature Effects on Partitioning of Lipids by Tail Length: Atomistic Simulations.
-
(2008)
Biophys. J.
, vol.95
, pp. 2647-2657
-
-
Wang, H.1
De Joannis, J.2
Jiang, Y.3
Gaulding, J.C.4
Albrecht, B.5
Yin, F.6
Khanna, K.7
Kindt, J.T.8
-
100
-
-
60849122250
-
Atomistic Simulations of Mixed-Lipid Bilayers in the Gel and Fluid Phases
-
P. S. Coppock and J. T. Kindt, Langmuir, 25, 352-359 (2009). Atomistic Simulations of Mixed-Lipid Bilayers in the Gel and Fluid Phases.
-
(2009)
Langmuir
, vol.25
, pp. 352-359
-
-
Coppock, P.S.1
Kindt, J.T.2
-
101
-
-
33846399333
-
Molecular Studies of the Gel to Liquid-Crystalline Phase Transition for Fully Hydrated DPPC and DPPE Bilayers
-
S. Leekumjorn and A. K. Sum, Biochim. Biophys. Acta-Biomembr., 1768, 354-365 (2007). Molecular Studies of the Gel to Liquid-Crystalline Phase Transition for Fully Hydrated DPPC and DPPE Bilayers.
-
(2007)
Biochim. Biophys. Acta-Biomembr.
, vol.1768
, pp. 354-365
-
-
Leekumjorn, S.1
Sum, A.K.2
-
102
-
-
36749056331
-
Critical Fluctuations in Domain-Forming Lipid Mixtures
-
S. L. Veatch, O. Soubias, S. L. Keller, and K. Gawrisch, Proc. Nat. Acad. Sci. U.S.A., 104, 17650-17655 (2007). Critical Fluctuations in Domain-Forming Lipid Mixtures.
-
(2007)
Proc. Nat. Acad. Sci. U.S.A.
, vol.104
, pp. 17650-17655
-
-
Veatch, S.L.1
Soubias, O.2
Keller, S.L.3
Gawrisch, K.4
-
103
-
-
0034764754
-
Condensed Complexes and the Calorimetry of Cholesterol-Phospholipid Bilayers
-
T. G. Anderson and H. M. McConnell, Biophys. J., 81, 2774-2785 (2001). Condensed Complexes and the Calorimetry of Cholesterol-Phospholipid Bilayers.
-
(2001)
Biophys. J.
, vol.81
, pp. 2774-2785
-
-
Anderson, T.G.1
McConnell, H.M.2
-
104
-
-
0034269997
-
Self-Adapting Fixed-Endpoint Configurational-Bias Monte Carlo Method for the Regrowth of Interior Segments of Chain Molecules with Strong Intramolecular Interactions
-
C. D.Wick and J. I. Siepmann, Macromolecules, 33, 7207-7218 (2000). Self-Adapting Fixed-Endpoint Configurational-Bias Monte Carlo Method for the Regrowth of Interior Segments of Chain Molecules with Strong Intramolecular Interactions.
-
(2000)
Macromolecules
, vol.33
, pp. 7207-7218
-
-
Wick, C.D.1
Siepmann, J.I.2
-
105
-
-
0001527636
-
Expanded Grand Canonical and Gibbs Ensemble Monte Carlo Simulation of Polymers
-
F. A. Escobedo and J. J. De Pablo, J. Chem. Phys., 105, 4391-4394 (1996). Expanded Grand Canonical and Gibbs Ensemble Monte Carlo Simulation of Polymers.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 4391-4394
-
-
Escobedo, F.A.1
De Pablo, J.J.2
-
106
-
-
77953547641
-
Atomistic Simulations of Bicelle Mixtures
-
Y. Jiang, H.Wang and J. T. Kindt, Biophys. J., 98, 2895-2903 (2010). Atomistic Simulations of Bicelle Mixtures.
-
(2010)
Biophys. J.
, vol.98
, pp. 2895-2903
-
-
Jiang, Y.1
Wang, H.2
Kindt, J.T.3
-
107
-
-
33751556642
-
Isomolar-Semigrand Ensemble Molecular Dynamics: Application to Vapor-Liquid Equilibrium of the Mixture Methane/Ethane
-
T. I. Morrow and E. J. Maginn, J. Chem. Phys., 125, 204712 (2006). Isomolar-Semigrand Ensemble Molecular Dynamics: Application to Vapor-Liquid Equilibrium of the Mixture Methane/Ethane.
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 204712
-
-
Morrow, T.I.1
Maginn, E.J.2
-
108
-
-
0001692244
-
Lambda-Dynamics: A New Approach to Free Energy Calculations
-
X. Kong and C. L. Brooks III, J. Chem. Phys., 105, 2414-2423 (1996). Lambda-Dynamics: A New Approach to Free Energy Calculations.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 2414-2423
-
-
Kong, X.1
Brooks C.L. III2
|