-
2
-
-
0008821140
-
Ionic selectivity revisted: The role of kinetic and equilibrium processes in ion permeation through channels
-
Eisenman G, Horn R. Ionic selectivity revisted: the role of kinetic and equilibrium processes in ion permeation through channels. J Membr Biol 1983;50:1025-1034.
-
(1983)
J Membr Biol
, vol.50
, pp. 1025-1034
-
-
Eisenman, G.1
Horn, R.2
-
3
-
-
0020663666
-
Conduction and selectivity in potassium channels
-
Latorre R, Miller C. Conduction and selectivity in potassium channels. J Membr Biol 1983;71:11-30.
-
(1983)
J Membr Biol
, vol.71
, pp. 11-30
-
-
Latorre, R.1
Miller, C.2
-
4
-
-
0032478818
-
+ conduction and selectivity
-
+ conduction and selectivity. Science 1998;280:69-77.
-
(1998)
Science
, vol.280
, pp. 69-77
-
-
Doyle, D.A.1
Cabral, J.M.2
Pfuetzner, R.A.3
Kuo, A.L.4
Gulbis, J.M.5
Cohen, S.L.6
Chait, B.T.7
MacKinnon, R.8
-
8
-
-
4243966062
-
+ selectivity of the KcsA potassium channel from microscopic free energy perturbation calculations
-
36446
-
+ selectivity of the KcsA potassium channel from microscopic free energy perturbation calculations. Biochim Biophys Acta 2001;36446:1-9.
-
(2001)
Biochim Biophys Acta
, pp. 1-9
-
-
Luzhkov, V.1
Aqvist, J.2
-
9
-
-
0001426939
-
The potassium channel: Structure, selectivity and diffusion
-
Allen TW, Bliznyuk AA, Rendell AP, Kuyucak S, Chung S-H. The potassium channel: structure, selectivity and diffusion. J Chem Phys 2000;112:8191-8204.
-
(2000)
J Chem Phys
, vol.112
, pp. 8191-8204
-
-
Allen, T.W.1
Bliznyuk, A.A.2
Rendell, A.P.3
Kuyucak, S.4
Chung, S.-H.5
-
12
-
-
33845282559
-
Microscopic aproaches to ion transport through transmembrane channels. The model system gramicidin
-
Jordan PC. Microscopic aproaches to ion transport through transmembrane channels. The model system gramicidin. J Phys Chem 1987;91:6582-6591.
-
(1987)
J Phys Chem
, vol.91
, pp. 6582-6591
-
-
Jordan, P.C.1
-
13
-
-
0025000888
-
Ion-water and ion-polypeptide correlations in a gramicidine-like channel: A molecular dynamics study
-
Jordan PC. Ion-water and ion-polypeptide correlations in a gramicidine-like channel: a molecular dynamics study. Biophys J 1990;58:1133-1156.
-
(1990)
Biophys J
, vol.58
, pp. 1133-1156
-
-
Jordan, P.C.1
-
16
-
-
0034690250
-
Ion permeation mechanism of the potassium channel
-
Åqvist J, Luzhkov V. Ion permeation mechanism of the potassium channel. Nature 2000;404:881-884.
-
(2000)
Nature
, vol.404
, pp. 881-884
-
-
Åqvist, J.1
Luzhkov, V.2
-
17
-
-
0036656435
-
Ion channels: Recent progress and prospects
-
Chung SH, Kuyucak S. Ion channels: recent progress and prospects. Eur J Biochem 2002;31:283-293.
-
(2002)
Eur J Biochem
, vol.31
, pp. 283-293
-
-
Chung, S.H.1
Kuyucak, S.2
-
18
-
-
0000127690
-
Molecular and Brownian dynamics study of ion selectivity and conductivity in the potassium channel
-
Allen TW, Hoyles M, Kuyucak S, Chung SH. Molecular and Brownian dynamics study of ion selectivity and conductivity in the potassium channel. Chem Phys Lett 1999;313:358-365.
-
(1999)
Chem Phys Lett
, vol.313
, pp. 358-365
-
-
Allen, T.W.1
Hoyles, M.2
Kuyucak, S.3
Chung, S.H.4
-
20
-
-
0037093650
-
Simulations of ion current in realistic models of ion channels: The KcsA potassium channel
-
Burykin A, Schutz CN, Villa J, Warshel A. Simulations of ion current in realistic models of ion channels: the KcsA potassium channel. Proteins 2002;47:265-280.
-
(2002)
Proteins
, vol.47
, pp. 265-280
-
-
Burykin, A.1
Schutz, C.N.2
Villa, J.3
Warshel, A.4
-
21
-
-
0035830616
-
Potassium and sodium ions in a potassium channel studied by molecular dynamics simulations
-
Biggin PC, Smith GR, Shrivastava I, Choe S, Sansom MSP. Potassium and sodium ions in a potassium channel studied by molecular dynamics simulations. Biochim Biophys Acta 2001;1510:1-9.
-
(2001)
Biochim Biophys Acta
, vol.1510
, pp. 1-9
-
-
Biggin, P.C.1
Smith, G.R.2
Shrivastava, I.3
Choe, S.4
Sansom, M.S.P.5
-
22
-
-
0032708637
-
Permeation of ions across the potassium channel: Brownian dynamics studies
-
Chung SH, Allen TW, Hoyles M, Kuyucak S. Permeation of ions across the potassium channel: Brownian dynamics studies. Biophys J 1999;77:2517-2533.
-
(1999)
Biophys J
, vol.77
, pp. 2517-2533
-
-
Chung, S.H.1
Allen, T.W.2
Hoyles, M.3
Kuyucak, S.4
-
23
-
-
0344418714
-
Simulating proton translocations in proteins: Probing proton transfer pathways in the Rhodobacter Sphaeroides Reaction Center
-
Sham Y, Muegge I, Warshel A. Simulating proton translocations in proteins: Probing proton transfer pathways in the Rhodobacter Sphaeroides Reaction Center Proteins. 1999;36:484-500.
-
(1999)
Proteins
, vol.36
, pp. 484-500
-
-
Sham, Y.1
Muegge, I.2
Warshel, A.3
-
25
-
-
33847327575
-
The fluctuation-dissipation theorem
-
Kubo R. The fluctuation-dissipation theorem. Rept Progr Phys 1966;29:255-284.
-
(1966)
Rept Progr Phys
, vol.29
, pp. 255-284
-
-
Kubo, R.1
-
27
-
-
0035451052
-
What are the dielectric "constants" of proteins and how to validate electrostatic models
-
Schutz CN, Warshel A. What are the dielectric "constants" of proteins and how to validate electrostatic models. Proteins 2001;44:400-417.
-
(2001)
Proteins
, vol.44
, pp. 400-417
-
-
Schutz, C.N.1
Warshel, A.2
-
28
-
-
0010624785
-
The effect of protein relaxation on charge-charge interactions and dielectric constants of proteins
-
Sham YY, Muegge I, Warshel A. The effect of protein relaxation on charge-charge interactions and dielectric constants of proteins. Biophys J 1998;74:1744-1753.
-
(1998)
Biophys J
, vol.74
, pp. 1744-1753
-
-
Sham, Y.Y.1
Muegge, I.2
Warshel, A.3
-
29
-
-
0037150088
-
Electrostatic interactions in an integral membrane protein
-
Johnson ET, Parson WW. Electrostatic interactions in an integral membrane protein. Biochemistry 2002;41:6483-6494.
-
(2002)
Biochemistry
, vol.41
, pp. 6483-6494
-
-
Johnson, E.T.1
Parson, W.W.2
-
30
-
-
0032054517
-
Electrostatic effects in macromolecules: Fundamental concepts and practical modeling
-
Warshel A, Papazyan A. Electrostatic effects in macromolecules: fundamental concepts and practical modeling. Curr Opin Struct Biol 1998;8:211-217.
-
(1998)
Curr Opin Struct Biol
, vol.8
, pp. 211-217
-
-
Warshel, A.1
Papazyan, A.2
-
31
-
-
0036708445
-
Continuum electrostatics fails to describe ion permeation in the gramicidin channel
-
Edwards S, Corry B, Kuyucak S, Chung S-H. Continuum electrostatics fails to describe ion permeation in the gramicidin channel. Biophys J 2002;83:1348-1360.
-
(2002)
Biophys J
, vol.83
, pp. 1348-1360
-
-
Edwards, S.1
Corry, B.2
Kuyucak, S.3
Chung, S.-H.4
-
32
-
-
0030404988
-
HOLE: A program for the analysis of the pore dimentions of ion channel structural models
-
Smart OS, Neduvelil JG, Wang X, Wallace BA, Sansom MSP. HOLE: A program for the analysis of the pore dimentions of ion channel structural models. J Mol Graph 1996;14:354-360.
-
(1996)
J Mol Graph
, vol.14
, pp. 354-360
-
-
Smart, O.S.1
Neduvelil, J.G.2
Wang, X.3
Wallace, B.A.4
Sansom, M.S.P.5
-
34
-
-
36149027699
-
On the theory of the Brownian motion II
-
Wang MC, Uhlenbeck GE. On the theory of the Brownian motion II. Rev Mod Phys 1945;17:323-342.
-
(1945)
Rev Mod Phys
, vol.17
, pp. 323-342
-
-
Wang, M.C.1
Uhlenbeck, G.E.2
-
36
-
-
0000728542
-
Microscopic and semimicroscopic calculations of electrostatic energies in proteins by the POLARIS and ENZYMIX programs
-
Lee FS, Chu ZT, Warshel A. Microscopic and semimicroscopic calculations of electrostatic energies in proteins by the POLARIS and ENZYMIX programs. J Comp Chem 1993;14:161-185.
-
(1993)
J Comp Chem
, vol.14
, pp. 161-185
-
-
Lee, F.S.1
Chu, Z.T.2
Warshel, A.3
-
37
-
-
0344796204
-
Ion-water interaction potentials derived from free energy perturbation simulations
-
Åqvist, J. Ion-water interaction potentials derived from free energy perturbation simulations. J Chem Phys 1990;94:8021-8024.
-
(1990)
J Chem Phys
, vol.94
, pp. 8021-8024
-
-
Åqvist, J.1
-
38
-
-
0000301294
-
The proton's absolute aqueous entalpy and Gibbs free energy of solvation from cluster-ion solvation data
-
Tissandier MD, Cowen KA, Feng WY, Gundlach E, Cohen MH, Earhart AD, Coe JV. The proton's absolute aqueous entalpy and Gibbs free energy of solvation from cluster-ion solvation data. J Phys Chem 1998;102:7787-7794.
-
(1998)
J Phys Chem
, vol.102
, pp. 7787-7794
-
-
Tissandier, M.D.1
Cowen, K.A.2
Feng, W.Y.3
Gundlach, E.4
Cohen, M.H.5
Earhart, A.D.6
Coe, J.V.7
-
39
-
-
36549094414
-
A surface constrained all-atom solvent model for effective simulations of polar solutions
-
King G, Warshel A. A surface constrained all-atom solvent model for effective simulations of polar solutions. J Chem Phys 1989;91:3647-3661.
-
(1989)
J Chem Phys
, vol.91
, pp. 3647-3661
-
-
King, G.1
Warshel, A.2
-
40
-
-
0000115003
-
A local reaction field method for fast evaluation of long-range electrostatic interactions in molecular simulations
-
Lee FS, Warshel A. A local reaction field method for fast evaluation of long-range electrostatic interactions in molecular simulations. J Chem Phys 1992;97:3100-3107.
-
(1992)
J Chem Phys
, vol.97
, pp. 3100-3107
-
-
Lee, F.S.1
Warshel, A.2
-
42
-
-
0042852135
-
Reconstructing potentials of mean force through time series analysis of steered molecular dynamics simulations
-
Gullingsrud JR, Braun R, Schulten K. Reconstructing potentials of mean force through time series analysis of steered molecular dynamics simulations. J Comput Chem 1999;151:190-211.
-
(1999)
J Comput Chem
, vol.151
, pp. 190-211
-
-
Gullingsrud, J.R.1
Braun, R.2
Schulten, K.3
-
43
-
-
4243810035
-
Simulation of enzyme reactions using valence bond force fields and other hybrid quantum/classical approaches
-
Åqvist J, Warshel A. Simulation of enzyme reactions using valence bond force fields and other hybrid quantum/classical approaches. Chem Rev 1993;93:2523-2544.
-
(1993)
Chem Rev
, vol.93
, pp. 2523-2544
-
-
Åqvist, J.1
Warshel, A.2
-
45
-
-
0039179572
-
Ion channels, permeation and electrostatics: Insight into the function of KcsA
-
Roux B, Berneche S, Im W. Ion channels, permeation and electrostatics: insight into the function of KcsA. Biochemistry 2000;39:13295-13306.
-
(2000)
Biochemistry
, vol.39
, pp. 13295-13306
-
-
Roux, B.1
Berneche, S.2
Im, W.3
-
46
-
-
0035498849
-
See potassium run
-
Miller C. See potassium run. Nature 2000;414:23-24.
-
(2000)
Nature
, vol.414
, pp. 23-24
-
-
Miller, C.1
|