-
1
-
-
77956944534
-
Energy variational analysis of ions in water and channels: Field theory for primitive models of complex ionic fluids
-
Eisenberg, B., Y. Hyon, and C. Liu. 2010. Energy variational analysis of ions in water and channels: field theory for primitive models of complex ionic fluids. J. Chem. Phys. 133:104104.
-
(2010)
J. Chem. Phys.
, vol.133
, pp. 104104
-
-
Eisenberg, B.1
Hyon, Y.2
Liu, C.3
-
4
-
-
77954057868
-
Simplified electrostatic model for the thermodynamic excess potentials of binary strong electrolyte solutions with size-dissimilar ions
-
Fraenkel, D. 2010. Simplified electrostatic model for the thermodynamic excess potentials of binary strong electrolyte solutions with size-dissimilar ions. Mol. Phys. 108:1435-1466.
-
(2010)
Mol. Phys.
, vol.108
, pp. 1435-1466
-
-
Fraenkel, D.1
-
6
-
-
0343758233
-
Polyelectrolyte theory. 2. Activity coefficients in Poisson-boltzmann and in condensation theory. The polarizability of the counterion sheath
-
Gueron, M., and G. Weisbuch. 1979. Polyelectrolyte theory. 2. Activity coefficients in Poisson-Boltzmann and in condensation theory. The polarizability of the counterion sheath. J. Phys. Chem. 83:1991-1998.
-
(1979)
J. Phys. Chem.
, vol.83
, pp. 1991-1998
-
-
Gueron, M.1
Weisbuch, G.2
-
7
-
-
57649130782
-
A repulsive field: Advances in the electrostatics of the ion atmosphere
-
Chu, V. B., Y. Bai, ..., S. Doniach. 2008. A repulsive field: advances in the electrostatics of the ion atmosphere. Curr. Opin. Chem. Biol. 12:619-625.
-
(2008)
Curr. Opin. Chem. Biol.
, vol.12
, pp. 619-625
-
-
Chu, V.B.1
Bai, Y.2
Doniach, S.3
-
8
-
-
42149159601
-
Explicit ion, implicit water solvation for molecular dynamics of nucleic acids and highly charged molecules
-
DOI 10.1002/jcc.20874
-
Prabhu, N. V., M. Panda, ..., K. A. Sharp. 2008. Explicit ion, implicit water solvation for molecular dynamics of nucleic acids and highly charged molecules. J. Comput. Chem. 29:1113-1130. (Pubitemid 351535409)
-
(2008)
Journal of Computational Chemistry
, vol.29
, Issue.7
, pp. 1113-1130
-
-
Prabhu, N.V.1
Panda, M.2
Yang, Q.3
Sharp, K.A.4
-
9
-
-
0004059988
-
-
Kluwer, Boston, MA
-
Durand-Vidal, S., J.-P. Simonin, and P. Turq. 2000. Electrolytes at Interfaces. Kluwer, Boston, MA.
-
(2000)
Electrolytes at Interfaces
-
-
Durand-Vidal, S.1
Simonin, J.-P.2
Turq, P.3
-
11
-
-
0004047722
-
-
3rd Ed. McGraw-Hill College, New York
-
Pitzer, K. S. 1995. Thermodynamics, 3rd Ed. McGraw-Hill College, New York.
-
(1995)
Thermodynamics
-
-
Pitzer, K.S.1
-
12
-
-
0037768185
-
Thermodynamics of electrolytes. IV. Activity and osmotic coefficients for mixed electrolytes
-
Pitzer, K. S., and J. J. Kim. 1974. Thermodynamics of electrolytes. IV. Activity and osmotic coefficients for mixed electrolytes. J. Am. Chem. Soc. 96:5701-5707.
-
(1974)
J. Am. Chem. Soc.
, vol.96
, pp. 5701-5707
-
-
Pitzer, K.S.1
Kim, J.J.2
-
13
-
-
67649170983
-
Electrical conductivity of mixed electrolytes: Modeling within the mean spherical approximation
-
Roger, G. M., S. Durand-Vidal, ..., P. Turq. 2009. Electrical conductivity of mixed electrolytes: modeling within the mean spherical approximation. J. Phys. Chem. B. 113:8670-8674.
-
(2009)
J. Phys. Chem. B.
, vol.113
, pp. 8670-8674
-
-
Roger, G.M.1
Durand-Vidal, S.2
Turq, P.3
-
14
-
-
84950599921
-
The Donnan equilibrium: A theoretical study of the effects of interionic forces
-
Stell, G., and C. G. Joslin. 1986. The Donnan equilibrium: a theoretical study of the effects of interionic forces. Biophys. J. 50:855-859.
-
(1986)
Biophys. J.
, vol.50
, pp. 855-859
-
-
Stell, G.1
Joslin, C.G.2
-
15
-
-
70449377357
-
Ion-specific thermodynamics of multicomponent electrolytes: A hybrid HNC/MD approach
-
Vrbka, L., M. Lund, ..., W. Kunz. 2009. Ion-specific thermodynamics of multicomponent electrolytes: a hybrid HNC/MD approach. J. Chem. Phys. 131:154109.
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 154109
-
-
Vrbka, L.1
Lund, M.2
Kunz, W.3
-
16
-
-
33750309173
-
Quantification and rationalization of the higher affinity of sodium over potassium to protein surfaces
-
DOI 10.1073/pnas.0606959103
-
Vrbka, L., J. Vondrásek, ..., P. Jungwirth. 2006. Quantification and rationalization of the higher affinity of sodium over potassium to protein surfaces. Proc. Natl. Acad. Sci. USA. 103:15440-15444. (Pubitemid 44625610)
-
(2006)
Proceedings of the National Academy of Sciences of the United States of America
, vol.103
, Issue.42
, pp. 15440-15444
-
-
Vrbka, L.1
Vondrasek, J.2
Jagoda-Cwiklik, B.3
Vacha, R.4
Jungwirth, P.5
-
17
-
-
37049107604
-
Theory of the electric double-layer using a modified Poisson-boltzmann equation
-
Outhwaite, C. W., L. B. Bhuiyan, and S. Levine. 1980. Theory of the electric double-layer using a modified Poisson-Boltzmann equation. J. Chem. Soc., Faraday Trans. II. 76:1388-1408.
-
(1980)
J. Chem. Soc., Faraday Trans. II
, vol.76
, pp. 1388-1408
-
-
Outhwaite, C.W.1
Bhuiyan, L.B.2
Levine, S.3
-
18
-
-
4043107549
-
Fundamental-measure free-energy density functional for hard spheres: Dimensional crossover and freezing
-
Rosenfeld, Y., M. Schmidt, ..., P. Tarazona. 1997. Fundamentalmeasure free-energy density functional for hard spheres: dimensional crossover and freezing. Phys. Rev. E Stat. Phys. Plasmas Fluids Relat. Interdiscip. Topics. 55:4245-4263. (Pubitemid 127612773)
-
(1997)
Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics
, vol.55
, Issue.4
, pp. 4245-4263
-
-
Rosenfeld, Y.1
Schmidt, M.2
Lowen, H.3
Tarazona, P.4
-
19
-
-
0028387947
-
Influence of finite size of ions on electrostatic properties of electric double layer
-
Kraljiglic, V., and A. Iglic. 1994. Influence of finite size of ions on electrostatic properties of electric double layer. Electrotechnol. Rev. (Slovenia). 61:127-133.
-
(1994)
Electrotechnol. Rev. (Slovenia)
, vol.61
, pp. 127-133
-
-
Kraljiglic, V.1
Iglic, A.2
-
20
-
-
0000626337
-
Effects of solvent exclusion on the force between charged surfaces in electrolyte solution
-
Tang, Z. X., L. E. Scriven, and H. T. Davis. 1994. Effects of solvent exclusion on the force between charged surfaces in electrolyte solution. J. Chem. Phys. 100:4527-4530.
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 4527-4530
-
-
Tang, Z.X.1
Scriven, L.E.2
Davis, H.T.3
-
21
-
-
36449009010
-
Statistical mechanics of a Coulomb gas with finite size particles: A lattice field theory approach
-
Coalson, R. D., A. M. Walsh, ..., N. Ben-Tal. 1995. Statistical mechanics of a Coulomb gas with finite size particles: a lattice field theory approach. J. Chem. Phys. 102:4584-4594.
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 4584-4594
-
-
Coalson, R.D.1
Walsh, A.M.2
Ben-Tal, N.3
-
22
-
-
6244273869
-
Steric effects in electrolytes: A modified Poisson-Boltzmann equation
-
Borukhov, I., D. Andelman, and H. Orland. 1997. Steric effects in electrolytes: a modified Poisson-Boltzmann equation. Phys. Rev. Lett. 79:435-438. (Pubitemid 127653641)
-
(1997)
Physical Review Letters
, vol.79
, Issue.3
, pp. 435-438
-
-
Borukhov, I.1
Andelman, D.2
Orland, H.3
-
24
-
-
36048952831
-
Evaluation of ion binding to DNA duplexes using a size-modified poisson-Boltzmann theory
-
DOI 10.1529/biophysj.106.099168
-
Chu, V. B., Y. Bai, ..., S. Doniach. 2007. Evaluation of ion binding to DNA duplexes using a size-modified Poisson-Boltzmann theory. Biophys. J. 93:3202-3209. (Pubitemid 350097110)
-
(2007)
Biophysical Journal
, vol.93
, Issue.9
, pp. 3202-3209
-
-
Chu, V.B.1
Bai, Y.2
Lipfert, J.3
Herschlag, D.4
Doniach, S.5
-
25
-
-
33847295668
-
Steric effects in the dynamics of electrolytes at large applied voltages. II. Modified Poisson-Nernst-planck equations
-
Kilic, M. S., M. Z. Bazant, and A. Ajdari. 2007. Steric effects in the dynamics of electrolytes at large applied voltages. II. Modified Poisson-Nernst-Planck equations. Phys. Rev. E Stat. Nonlin. Soft Matter Phys. 75:021503.
-
(2007)
Phys. Rev. E Stat. Nonlin. Soft Matter. Phys.
, vol.75
, pp. 021503
-
-
Kilic, M.S.1
Bazant, M.Z.2
Ajdari, A.3
-
26
-
-
77749345918
-
Ion-specific excluded-volume correlations and solvation forces
-
Kalcher, I., J. C. F. Schulz, and J. Dzubiella. 2010. Ion-specific excluded-volume correlations and solvation forces. Phys. Rev. Lett. 104:097802.
-
(2010)
Phys. Rev. Lett.
, vol.104
, pp. 097802
-
-
Kalcher, I.1
Schulz, J.C.F.2
Dzubiella, J.3
-
27
-
-
0037175732
-
Coupling poisson-nernst-planck and density functional theory to calculate ion flux
-
DOI 10.1088/0953-8984/14/46/317, PII S0953898402378986
-
Gillespie, D., W. Nonner, and R. S. Eisenberg. 2002. Coupling Poisson-Nernst-Planck and density functional theory to calculate ion flux. J. Phys. Condens. Matter. 14:12129-12145. (Pubitemid 35434013)
-
(2002)
Journal of Physics Condensed Matter
, vol.14
, Issue.46
, pp. 12129-12145
-
-
Gillespie, D.1
Nonner, W.2
Eisenberg, R.S.3
-
28
-
-
0242493974
-
Density functional theory of charged, hard-sphere fluids
-
Gillespie, D., W. Nonner, and R. S. Eisenberg. 2003. Density functional theory of charged, hard-sphere fluids. Phys. Rev. E Stat. Nonlin. Soft Matter Phys. 68:031503.
-
(2003)
Phys. Rev. E Stat. Nonlin. Soft Matter. Phys.
, vol.68
, pp. 031503
-
-
Gillespie, D.1
Nonner, W.2
Eisenberg, R.S.3
-
29
-
-
26444537377
-
Density functional theory of the electrical double layer: The RFD functional
-
Gillespie, D., M. Valiskó, and D. Boda. 2005. Density functional theory of the electrical double layer: the RFD functional. J. Phys. Condens. Matter. 17:6609.
-
(2005)
J. Phys. Condens. Matter.
, vol.17
, pp. 6609
-
-
Gillespie, D.1
Valiskó, M.2
Boda, D.3
-
30
-
-
0002245425
-
Density functionals in the theory of nonuniform fluids
-
D. Henderson, editor. Marcel Dekker, New York
-
Evans, R. 1992. Density functionals in the theory of nonuniform fluids. In Fundamentals of Inhomogeneous Fluids. D. Henderson, editor. Marcel Dekker, New York. 606.
-
(1992)
Fundamentals of Inhomogeneous Fluids
, pp. 606
-
-
Evans, R.1
-
31
-
-
0037175734
-
Fundamental measure theory for hard-sphere mixtures revisited: The White Bear version
-
Roth, R., R. Evans, ..., G. Kahl. 2002. Fundamental measure theory for hard-sphere mixtures revisited: the White Bear version. J. Phys. Condens. Matter. 14:12063.
-
(2002)
J. Phys. Condens. Matter.
, vol.14
, pp. 12063
-
-
Roth, R.1
Evans, R.2
Kahl, G.3
-
32
-
-
33748361785
-
Density functional theory for hard-sphere mixtures: The White Bear version Mark II
-
Hansen-Goos, H., and R. Roth. 2006. Density functional theory for hard-sphere mixtures: the White Bear version Mark II. J. Phys. Condens. Matter. 18:8413.
-
(2006)
J. Phys. Condens. Matter.
, vol.18
, pp. 8413
-
-
Hansen-Goos, H.1
Roth, R.2
-
33
-
-
77956935632
-
Geometrically based density-functional theory for confined fluids of asymmetric ("complex") molecules
-
B. B. Laird, R. B. Ross, and T. Ziegler, editors. American Chemical Society, Washington, DC
-
Rosenfeld, Y. 1996. Geometrically based density-functional theory for confined fluids of asymmetric ("complex") molecules. In Chemical Applications of Density-Functional Theory. B. B. Laird, R. B. Ross, and T. Ziegler, editors. American Chemical Society, Washington, DC. 198-212.
-
(1996)
Chemical Applications of Density-functional Theory
, pp. 198-212
-
-
Rosenfeld, Y.1
-
34
-
-
75649134244
-
Fundamental measure theory for hard-sphere mixtures: A review
-
Roth, R. 2010. Fundamental measure theory for hard-sphere mixtures: a review. J. Phys. Condens. Matter. 22:063102.
-
(2010)
J. Phys. Condens. Matter.
, vol.22
, pp. 063102
-
-
Roth, R.1
-
35
-
-
79959656229
-
An attempt at an overview
-
W. Kunz, editor. World Scientific Publishing Company, Singapore
-
Kunz, W., and R. Neueder. 2009. An attempt at an overview. In Specific Ion Effects. W. Kunz, editor. World Scientific Publishing Company, Singapore. 11-54.
-
(2009)
Specific Ion Effects
, pp. 11-54
-
-
Kunz, W.1
Neueder, R.2
-
36
-
-
26844490023
-
The thermodynamics of electrolytes at higher concentration
-
Eigen, M., and E. Wicke. 1954. The thermodynamics of electrolytes at higher concentration. J. Phys. Chem. 58:702-714.
-
(1954)
J. Phys. Chem.
, vol.58
, pp. 702-714
-
-
Eigen, M.1
Wicke, E.2
-
37
-
-
77954724862
-
Relating binding affinity to dynamical selectivity from dynamic Monte Carlo simulations of a model calcium channel
-
Rutkai, G., D. Boda, and T. Kristóf. 2010. Relating binding affinity to dynamical selectivity from dynamic Monte Carlo simulations of a model calcium channel. J. Phys. Chem. Lett. 1:2179-2184.
-
(2010)
J. Phys. Chem. Lett.
, vol.1
, pp. 2179-2184
-
-
Rutkai, G.1
Boda, D.2
Kristóf, T.3
-
38
-
-
34548717678
-
Steric selectivity in Na channels arising from protein polarization and mobile side chains
-
DOI 10.1529/biophysj.107.105478
-
Boda, D., W. Nonner, ..., D. Gillespie. 2007. Steric selectivity in Na channels arising from protein polarization and mobile side chains. Biophys. J. 93:1960-1980. (Pubitemid 47437580)
-
(2007)
Biophysical Journal
, vol.93
, Issue.6
, pp. 1960-1980
-
-
Boda, D.1
Nonner, W.2
Valisko, M.3
Henderson, D.4
Eisenberg, B.5
Gillespie, D.6
Eisenberg, R.S.7
-
39
-
-
55549115057
-
The anomalous mole fraction effect in calcium channels: A measure of preferential selectivity
-
Gillespie, D., and D. Boda. 2008. The anomalous mole fraction effect in calcium channels: a measure of preferential selectivity. Biophys. J. 95:2658-2672.
-
(2008)
Biophys. J.
, vol.95
, pp. 2658-2672
-
-
Gillespie, D.1
Boda, D.2
-
40
-
-
66049090534
-
Ionic selectivity in L-type calcium channels by electrostatics and hard-core repulsion
-
Boda, D., M. Valiskó, ..., W. Nonner. 2009. Ionic selectivity in L-type calcium channels by electrostatics and hard-core repulsion. J. Gen. Physiol. 133:497-509.
-
(2009)
J. Gen. Physiol.
, vol.133
, pp. 497-509
-
-
Boda, D.1
Valiskó, M.2
Nonner, W.3
-
41
-
-
85031219622
-
-
Reference deleted at proof
-
Reference deleted at proof.
-
-
-
-
42
-
-
79959649140
-
Size-modified continuum model. Progress report by the McCammon group at the University of California at San Diego, June 2008, CTBP Summer School
-
Lu, B. Z., Y. C. Zhou, ..., J. A. McCammon. 2008. Size-modified continuum model. Progress report by the McCammon group at the University of California at San Diego, June 2008, CTBP Summer School "Coarse-Grained Physical Modeling of Biological Systems: Advanced Theory and Methods".
-
(2008)
Coarse-grained Physical Modeling of Biological Systems: Advanced Theory and Methods
-
-
Lu, B.Z.1
Zhou, Y.C.2
McCammon, J.A.3
-
43
-
-
34948887808
-
Electrodiffusion: A continuum modeling framework for biomolecular systems with realistic spatiotemporal resolution
-
Lu, B. Z., Y. C. Zhou, ..., J. A. McCammon. 2007. Electrodiffusion: a continuum modeling framework for biomolecular systems with realistic spatiotemporal resolution. J. Chem. Phys. 127:135102.
-
(2007)
J. Chem. Phys.
, vol.127
, pp. 135102
-
-
Lu, B.Z.1
Zhou, Y.C.2
McCammon, J.A.3
-
44
-
-
77955272371
-
Poisson-Nernst-Planck equations for simulating biomolecular diffusion-reaction processes. I: Finite element solutions
-
Lu, B. Z., M. J. Holst, ..., Y. C. Zhou. 2010. Poisson-Nernst-Planck equations for simulating biomolecular diffusion-reaction processes. I: Finite element solutions. J. Comput. Phys. 229:6979-6994.
-
(2010)
J. Comput. Phys.
, vol.229
, pp. 6979-6994
-
-
Lu, B.Z.1
Holst, M.J.2
Zhou, Y.C.3
-
46
-
-
38949141177
-
Review: Continuum molecular electrostatics, salt effects, and counterion binding - A review of the Poisson-Boltzmann theory and its modifications
-
DOI 10.1002/bip.20877
-
Grochowski, P., and J. Trylska. 2008. Continuum molecular electrostatics, salt effects, and counterion binding-a review of the Poisson-Boltzmann theory and its modifications. Biopolymers. 89:93-113. (Pubitemid 351211641)
-
(2008)
Biopolymers
, vol.89
, Issue.2
, pp. 93-113
-
-
Grochowski, P.1
Trylska, J.2
-
47
-
-
67650721206
-
Continuum electrostatics for ionic solutions with nonuniform ionic sizes
-
Li, B. 2009. Continuum electrostatics for ionic solutions with nonuniform ionic sizes. Nonlinearity. 22:811-833.
-
(2009)
Nonlinearity
, vol.22
, pp. 811-833
-
-
Li, B.1
-
50
-
-
0031635793
-
A new Galerkin framework for the drift-diffusion equation in semiconductors
-
Gatti, E., S. Micheletti, and R. Sacco. 1998. A new Galerkin framework for the drift-diffusion equation in semiconductors. East-West. J. Numer. Math. 6:101-135.
-
(1998)
East-west. J. Numer. Math.
, vol.6
, pp. 101-135
-
-
Gatti, E.1
Micheletti, S.2
Sacco, R.3
-
51
-
-
68949086437
-
Roles of boundary conditions in DNA simulations: Analysis of ion distributions with the finite-difference Poisson-boltzmann method
-
Ye, X., Q. Cai, ..., R. Luo. 2009. Roles of boundary conditions in DNA simulations: analysis of ion distributions with the finite-difference Poisson-Boltzmann method. Biophys. J. 97:554-562.
-
(2009)
Biophys. J.
, vol.97
, pp. 554-562
-
-
Ye, X.1
Cai, Q.2
Luo, R.3
-
52
-
-
38049077806
-
Molecular surface-free continuum model for electrodiffusion processes
-
Lu, B. Z., and J. A. McCammon. 2008. Molecular surface-free continuum model for electrodiffusion processes. Chem. Phys. Lett. 451:282-286.
-
(2008)
Chem. Phys. Lett.
, vol.451
, pp. 282-286
-
-
Lu, B.Z.1
McCammon, J.A.2
|