-
1
-
-
0001426939
-
The potassium channel: Structure, selectivity and diffusion
-
Allen, T. W., A. Bliznyuk, A. P. Rendell, S. Kuyucak, and S. H. Chung. 2000. The potassium channel: structure, selectivity and diffusion. J. Chem. Phys. 112:8191-8204.
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 8191-8204
-
-
Allen, T.W.1
Bliznyuk, A.2
Rendell, A.P.3
Kuyucak, S.4
Chung, S.H.5
-
2
-
-
0035575826
-
Brownian dynamics study of an open-state KcsA potassium channel
-
Allen, T. W., and S. H. Chung. 2001. Brownian dynamics study of an open-state KcsA potassium channel. Biochim. Biophys. Acta. 1515:83-91.
-
(2001)
Biochim. Biophys. Acta
, vol.1515
, pp. 83-91
-
-
Allen, T.W.1
Chung, S.H.2
-
3
-
-
0032750783
-
Molecular dynamics study of the KcsA potassium channel
-
Allen, T. W., S. Kuyucak, and S. H. Chung. 1999, Molecular dynamics study of the KcsA potassium channel. Biophys. J. 77:2502-2516.
-
(1999)
Biophys. J.
, vol.77
, pp. 2502-2516
-
-
Allen, T.W.1
Kuyucak, S.2
Chung, S.H.3
-
4
-
-
0344796204
-
Ion water interaction potentials derived from free-energy perturbation simulations
-
Åqvist, J. 1990. Ion water interaction potentials derived from free-energy perturbation simulations. J. Phys. Chem. 94:8021-8024.
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 8021-8024
-
-
Åqvist, J.1
-
5
-
-
0034690250
-
Ion permeation mechanism of the potassium channel
-
Åqvist, J., and V. Luzhkov. 2000. Ion permeation mechanism of the potassium channel. Nature. 404:881-884.
-
(2000)
Nature
, vol.404
, pp. 881-884
-
-
Åqvist, J.1
Luzhkov, V.2
-
7
-
-
0004067382
-
-
Reidel, Dordrecht, The Netherlands
-
Berendsen, H. J. C., J. P. M. Postma, W. F. van Gunsteren, and J. Hermans. 1981. Intermolecular Forces. Reidel, Dordrecht, The Netherlands.
-
(1981)
Intermolecular Forces
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
Van Gunsteren, W.F.3
Hermans, J.4
-
9
-
-
0030999097
-
Molecular dynamics simulations of a fluid bilayer of dipalmitoylphosphatidycholine at full hydration, constant pressure and constant temperature
-
Berger, O., O. Edholm, and F. Jahnig. 1997. Molecular dynamics simulations of a fluid bilayer of dipalmitoylphosphatidycholine at full hydration, constant pressure and constant temperature. Biophys. J. 72: 2002-2013.
-
(1997)
Biophys. J.
, vol.72
, pp. 2002-2013
-
-
Berger, O.1
Edholm, O.2
Jahnig, F.3
-
10
-
-
0042213113
-
+ channel in a bilayer membrane
-
+ channel in a bilayer membrane. Biophys. J. 78:2900-2917.
-
(2000)
Biophys. J.
, vol.78
, pp. 2900-2917
-
-
Bernèche, S.1
Roux, B.2
-
13
-
-
0036787715
-
Open-state models of a potassium channel
-
Biggin, P. C., and M. S. P. Sansom. 2002. Open-state models of a potassium channel. Biophys. J. 83:1867-1876.
-
(2002)
Biophys. J.
, vol.83
, pp. 1867-1876
-
-
Biggin, P.C.1
Sansom, M.S.P.2
-
14
-
-
0035830616
-
Potassium and sodium ions in a potassium channel studied by molecular dynamics simulations
-
Biggin, P. C., O. R. Smith, I. H. Shrivastava, S. Choe, and M. S. P. Sansom. 2001. Potassium and sodium ions in a potassium channel studied by molecular dynamics simulations. Biochim. Biophys. Acta. 1510:1-9.
-
(2001)
Biochim. Biophys. Acta
, vol.1510
, pp. 1-9
-
-
Biggin, P.C.1
Smith, O.R.2
Shrivastava, I.H.3
Choe, S.4
Sansom, M.S.P.5
-
15
-
-
0037007814
-
MD Simulations of a K channel model - Sensitivity to changes in ions, waters and membrane environment
-
Capener, C. E., and M. S. P. Sansom. 2002. MD Simulations of a K channel model - sensitivity to changes in ions, waters and membrane environment. J. Phys. Chem. B. 106:4543-4551.
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 4543-4551
-
-
Capener, C.E.1
Sansom, M.S.P.2
-
16
-
-
0034123344
-
Homology modeling and molecular dynamics simulation studies of an inward rectifier potassium channel
-
Capener, C. E., I. H. Shrivastava, K. M. Ranatunga, L. R. Forrest, G. R. Smith, and M. S. P. Sansom. 2000. Homology modeling and molecular dynamics simulation studies of an inward rectifier potassium channel. Biophys. J. 78:2929-2942.
-
(2000)
Biophys. J.
, vol.78
, pp. 2929-2942
-
-
Capener, C.E.1
Shrivastava, I.H.2
Ranatunga, K.M.3
Forrest, L.R.4
Smith, G.R.5
Sansom, M.S.P.6
-
17
-
-
0037382256
-
Filter flexibility in a mammalian K channel: Models and simulations of Kir6.2 mutants
-
Capener, C. E., P. Proks, F. M. Ashcroft, and M. S. P. Sansom. 2003. Filter flexibility in a mammalian K channel: models and simulations of Kir6.2 mutants. Biophys. J. 84:2345-2356.
-
(2003)
Biophys. J.
, vol.84
, pp. 2345-2356
-
-
Capener, C.E.1
Proks, P.2
Ashcroft, F.M.3
Sansom, M.S.P.4
-
18
-
-
0035013633
-
Molecular architecture of full-length KcsA: Role of cytoplasmic domains in ion permeation and activation gating
-
Cortes, D. M., L. G. Cuello, and E. Perozo. 2001. Molecular architecture of full-length KcsA: role of cytoplasmic domains in ion permeation and activation gating. J. Gen. Physiol. 117:165-180.
-
(2001)
J. Gen. Physiol.
, vol.117
, pp. 165-180
-
-
Cortes, D.M.1
Cuello, L.G.2
Perozo, E.3
-
20
-
-
33846823909
-
Particle mesh Ewald - An N-log(N) method for Ewald sums in large systems
-
Darden, T., D. York, and L. Pedersen. 1993. Particle mesh Ewald - an N-log(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
-
21
-
-
0032478818
-
+ conduction and selectivity
-
+ conduction and selectivity. Science. 280:69-77.
-
(1998)
Science
, vol.280
, pp. 69-77
-
-
Doyle, D.A.1
Cabral, J.M.2
Pfuetzner, R.A.3
Kuo, A.4
Gulbis, J.M.5
Cohen, S.L.6
Cahit, B.T.7
MacKinnon, R.8
-
23
-
-
0037071785
-
Potassium permeation through the KcsA channel: A density functional study
-
Guidoni, L., and P. Carloni. 2002. Potassium permeation through the KcsA channel: a density functional study. Biochim. Biophys. Acta. 1563:1-6.
-
(2002)
Biochim. Biophys. Acta
, vol.1563
, pp. 1-6
-
-
Guidoni, L.1
Carloni, P.2
-
28
-
-
0000388705
-
LINCS: A linear constraint solver for molecular simulations
-
Hess, B., H. Bekker, H. J. C. Berendsen, and J. G. E. M. Fraaije. 1997. LINCS: a linear constraint solver for molecular simulations. J. Comput. Chem. 18:1463-1472.
-
(1997)
J. Comput. Chem.
, vol.18
, pp. 1463-1472
-
-
Hess, B.1
Bekker, H.2
Berendsen, H.J.C.3
Fraaije, J.G.E.M.4
-
31
-
-
0038683517
-
Ewald artifacts in computer simulations of ionic solvation and ion-ion interaction: A continuum electrostatics study
-
Hunenberger, P. H., and J. A. McCammon. 1999. Ewald artifacts in computer simulations of ionic solvation and ion-ion interaction: a continuum electrostatics study. J. Chem. Phys. 110:1856-1872.
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 1856-1872
-
-
Hunenberger, P.H.1
McCammon, J.A.2
-
32
-
-
0037198626
-
Crystal structure and mechanism of a calcium-gated potassium channel
-
Jiang, Y., A. Lee, J. Chen, M. Cadene, B. T. Chait, and R. MacKinnon. 2002a. Crystal structure and mechanism of a calcium-gated potassium channel. Nature. 417:515-522.
-
(2002)
Nature
, vol.417
, pp. 515-522
-
-
Jiang, Y.1
Lee, A.2
Chen, J.3
Cadene, M.4
Chait, B.T.5
MacKinnon, R.6
-
33
-
-
0037198625
-
The open pore conformation of potassium channels
-
Jiang, Y., A. Lee, J. Chen, M. Cadene, B. T. Chait, and R. MacKinnon. 2002b. The open pore conformation of potassium channels. Nature. 417:523-526.
-
(2002)
Nature
, vol.417
, pp. 523-526
-
-
Jiang, Y.1
Lee, A.2
Chen, J.3
Cadene, M.4
Chait, B.T.5
MacKinnon, R.6
-
34
-
-
0033823118
-
The barium site in a potassium channel by x-ray crystallography
-
Jiang, Y. X., and R. MacKinnon. 2000. The barium site in a potassium channel by x-ray crystallography. J. Gen. Physiol. 115:269-272.
-
(2000)
J. Gen. Physiol.
, vol.115
, pp. 269-272
-
-
Jiang, Y.X.1
MacKinnon, R.2
-
36
-
-
0035525939
-
Molecular structure of salt solutions: A new view of the interface with implications for heterogeneous atmospheric chemistry
-
Jungwirth, P., and D. J. Tobias. 2001. Molecular structure of salt solutions: a new view of the interface with implications for heterogeneous atmospheric chemistry. J. Phys. Chem. B. 105:10468-10472.
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 10468-10472
-
-
Jungwirth, P.1
Tobias, D.J.2
-
38
-
-
0035789518
-
GROMACS 3.0: A package for molecular simulation and trajectory analysis
-
Lindahl, E., B. Hess, and D. van der Spoel. 2001. GROMACS 3.0: a package for molecular simulation and trajectory analysis. J. Mol. Model. 7:306-317.
-
(2001)
J. Mol. Model.
, vol.7
, pp. 306-317
-
-
Lindahl, E.1
Hess, B.2
Van der Spoel, D.3
-
39
-
-
0034817286
-
Structure of the KcsA channel intracellular gate in the open state
-
Liu, Y., P. Sompornpisut, and E. Perozo. 2001. Structure of the KcsA channel intracellular gate in the open state. Nat. Struct. Biol. 8:883-887.
-
(2001)
Nat. Struct. Biol.
, vol.8
, pp. 883-887
-
-
Liu, Y.1
Sompornpisut, P.2
Perozo, E.3
-
40
-
-
0034730689
-
A computational study of ion binding and protonation states in the KcsA potassium channel
-
Luzhkov, V. B., and J. Åqvist. 2000. A computational study of ion binding and protonation states in the KcsA potassium channel. Biochim. Biophys. Acta. 1481:360-370.
-
(2000)
Biochim. Biophys. Acta
, vol.1481
, pp. 360-370
-
-
Luzhkov, V.B.1
Åqvist, J.2
-
41
-
-
0035957732
-
Mechanisms of tetraethylammonium ion block in the KcsA potassium channel
-
Luzhkov, V. B., and J. Åqvist. 2001. Mechanisms of tetraethylammonium ion block in the KcsA potassium channel. FEBS Lett. 495:191-196.
-
(2001)
FEBS Lett.
, vol.495
, pp. 191-196
-
-
Luzhkov, V.B.1
Åqvist, J.2
-
42
-
-
0031880829
-
Adhesion forces of lipids in a phospholipid membrane studied by molecular dynamics simulations
-
Marrink, S. J., O. Berger, D. P. Tieleman, and F. Jahnig. 1998. Adhesion forces of lipids in a phospholipid membrane studied by molecular dynamics simulations. Biophys. J. 74:931-943.
-
(1998)
Biophys. J.
, vol.74
, pp. 931-943
-
-
Marrink, S.J.1
Berger, O.2
Tieleman, D.P.3
Jahnig, F.4
-
43
-
-
0034763324
-
Hierarchical approach to predicting permeation in ion channels
-
Mashl, R. J., Y. Z. Tang, J. Schnitzer, and E. Jakobsson. 2001. Hierarchical approach to predicting permeation in ion channels. Biophys. J. 81:2473-2483.
-
(2001)
Biophys. J.
, vol.81
, pp. 2473-2483
-
-
Mashl, R.J.1
Tang, Y.Z.2
Schnitzer, J.3
Jakobsson, E.4
-
44
-
-
0032725268
-
Exploring the open pore of the potassium channel from Steptomyces lividans
-
Meuser, D., H. Splitt, R. Wagner, and H. Schrempf. 1999. Exploring the open pore of the potassium channel from Steptomyces lividans. FEBS Lett. 462:447-452.
-
(1999)
FEBS Lett.
, vol.462
, pp. 447-452
-
-
Meuser, D.1
Splitt, H.2
Wagner, R.3
Schrempf, H.4
-
49
-
-
0035115863
-
Side-chain ionization states in a potassium channel
-
Ranatunga, K. M., I. H. Shrivastava, G. R. Smith, and M. S. P. Sansom. 2001a. Side-chain ionization states in a potassium channel. Biophys. J. 80:1210-1219.
-
(2001)
Biophys. J.
, vol.80
, pp. 1210-1219
-
-
Ranatunga, K.M.1
Shrivastava, I.H.2
Smith, G.R.3
Sansom, M.S.P.4
-
51
-
-
0036195868
-
On the potential functions used in molecular dynamics simulations of ion channels
-
Roux, B., and S. Bernèche. 2002. On the potential functions used in molecular dynamics simulations of ion channels. Biophys. J. 82:1681-1684.
-
(2002)
Biophys. J.
, vol.82
, pp. 1681-1684
-
-
Roux, B.1
Bernèche, S.2
-
53
-
-
0037064231
-
Potassium channels: Structures, models, simulations
-
Sansom, M. S. P., I. H. Shrivastava, J. N. Bright, J. Tate, C. E. Capener, and P. C. Biggin. 2002. Potassium channels: structures, models, simulations. Biochim. Biophys. Acta. 1565:294-307.
-
(2002)
Biochim. Biophys. Acta
, vol.1565
, pp. 294-307
-
-
Sansom, M.S.P.1
Shrivastava, I.H.2
Bright, J.N.3
Tate, J.4
Capener, C.E.5
Biggin, P.C.6
-
54
-
-
0034255831
-
Simulations of ion channels-watching ions and water move
-
Sansom, M. S. P., I. H. Shrivastava, K. M. Ranatunga, and G. R. Smith. 2000. Simulations of ion channels-watching ions and water move. Trends Biochem. Sci. 25:368-374.
-
(2000)
Trends Biochem. Sci.
, vol.25
, pp. 368-374
-
-
Sansom, M.S.P.1
Shrivastava, I.H.2
Ranatunga, K.M.3
Smith, G.R.4
-
55
-
-
0034036372
-
Simulations of ion permeation through a potassium channel: Molecular dynamics of KcsA in a phospholipid bilayer
-
Shrivastava, I. H., and M. S. P. Sansom. 2000. Simulations of ion permeation through a potassium channel: molecular dynamics of KcsA in a phospholipid bilayer. Biophys. J. 78:557-570.
-
(2000)
Biophys. J.
, vol.78
, pp. 557-570
-
-
Shrivastava, I.H.1
Sansom, M.S.P.2
-
56
-
-
0036619450
-
Molecular dynamics simulations and KcsA channel gating
-
Shrivastava, I. H., and M. S. P. Sansom. 2002. Molecular dynamics simulations and KcsA channel gating. Eur. Biophys. J. 31:207-216.
-
(2002)
Eur. Biophys. J.
, vol.31
, pp. 207-216
-
-
Shrivastava, I.H.1
Sansom, M.S.P.2
-
59
-
-
0034696954
-
Pore mutations affecting tetrameric assembly and functioning of the potassium channel from Steptomyces lividans
-
Splitt, H., D. Meuser, I. Borovok, M. Betzler, and H. Schrempf. 2000. Pore mutations affecting tetrameric assembly and functioning of the potassium channel from Steptomyces lividans. FEBS Lett. 472:83-87.
-
(2000)
FEBS Lett.
, vol.472
, pp. 83-87
-
-
Splitt, H.1
Meuser, D.2
Borovok, I.3
Betzler, M.4
Schrempf, H.5
-
60
-
-
0035705881
-
Simulation approaches to ion channel structure-function relationships
-
Tieleman, D. P., P. C. Biggin, G. R. Smith, and M. S. P. Sansom. 2001. Simulation approaches to ion channel structure-function relationships. Quart. Rev. Biophys. 34:473-561.
-
(2001)
Quart. Rev. Biophys.
, vol.34
, pp. 473-561
-
-
Tieleman, D.P.1
Biggin, P.C.2
Smith, G.R.3
Sansom, M.S.P.4
-
61
-
-
0036289154
-
The conformations of polypeptide chains where the main-chain parts of successive residues are enantiomeric. Their occurrence in cation and anion-binding regions of proteins
-
Watson, J. D., and E. J. Milner-White. 2002. The conformations of polypeptide chains where the main-chain parts of successive residues are enantiomeric. Their occurrence in cation and anion-binding regions of proteins. J. Mol. Biol. 315:183-191.
-
(2002)
J. Mol. Biol.
, vol.315
, pp. 183-191
-
-
Watson, J.D.1
Milner-White, E.J.2
|