-
1
-
-
0035575826
-
Brownian dynamics study of an open-state KcsA potassium channel
-
Allen TW, Chung SH (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
-
2
-
-
0032750783
-
Molecular dynamics study of the KcsA potassium channel
-
Allen TW, Kuyucak S, Chung SH (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
-
3
-
-
0001426939
-
The potassium channel: Structure, selectivity and diffusion
-
Allen TW, Bliznyuk A, Rendell AP, Kuyucak S, Chung SH (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
-
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, Luzhkov V (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
-
-
2242431668
-
Crystal structure of Escherichia coli MscS, a voltage-modulated and mechanosensitive channel
-
Bass RB, Strop P, Barclay M, Rees DC (2002) Crystal structure of Escherichia coli MscS, a voltage-modulated and mechanosensitive channel. Science 298:1582-1587
-
(2002)
Science
, vol.298
, pp. 1582-1587
-
-
Bass, R.B.1
Strop, P.2
Barclay, M.3
Rees, D.C.4
-
8
-
-
0038472282
-
Liquid-vapor oscillations of water in hydrophobic nanopores
-
Beckstein O, Sansom MSP (2003) Liquid-vapor oscillations of water in hydrophobic nanopores. Proc Natl Acad Sci USA 100:7063-7068
-
(2003)
Proc Natl Acad Sci USA
, vol.100
, pp. 7063-7068
-
-
Beckstein, O.1
Sansom, M.S.P.2
-
10
-
-
33750587438
-
Molecular dynamics with coupling to an external bath
-
Berendsen HJC, Postma JPM, van Gunsteren WF, DiNola A, Haak JR (1984) Molecular dynamics with coupling to an external bath. J Chem Phys 81:3684-3690
-
(1984)
J Chem Phys
, vol.81
, pp. 3684-3690
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
Van Gunsteren, W.F.3
DiNola, A.4
Haak, J.R.5
-
11
-
-
0030999097
-
Molecular dynamics simulations of a fluid bilayer of dipalmitoylphosphatidycholine at full hydration, constant pressure and constant temperature
-
Berger O, Edholm O, Jahnig F (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
-
12
-
-
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
-
16
-
-
0037636309
-
The implementation of slab geometry for membrane-channel molecular dynamics simulations
-
Bostick DL, Berkowitz ML (2003) The implementation of slab geometry for membrane-channel molecular dynamics simulations. Biophys J 85:97-107
-
(2003)
Biophys J
, vol.85
, pp. 97-107
-
-
Bostick, D.L.1
Berkowitz, M.L.2
-
17
-
-
0036343993
-
Conformational dynamics of helix S6 from Shaker potassium channel: Simulation studies
-
Bright JN, Shrivastava IH, Cordes FS, Sansom MSP (2002) Conformational dynamics of helix S6 from Shaker potassium channel: simulation studies. Biopolymers 64:303-313
-
(2002)
Biopolymers
, vol.64
, pp. 303-313
-
-
Bright, J.N.1
Shrivastava, I.H.2
Cordes, F.S.3
Sansom, M.S.P.4
-
19
-
-
0037007814
-
MD simulations of a K channel model: Sensitivity to changes in ions, waters and membrane environment
-
Capener CE, Sansom MSP (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
-
20
-
-
0034123344
-
Homology modelling and molecular dynamics simulation studies of an inward rectifier potassium channel
-
Capener CE, Shrivastava IH, Ranatunga KM, Forrest LR, Smith GR, Sansom MSP (2000) Homology modelling 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
-
22
-
-
0037382256
-
Filter flexibility in a mammalian K channel: Models and simulations of Kir6.2 mutants
-
Capener CE, Proks P, Ashcroft FM, Sansom MSP (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
-
23
-
-
0032545321
-
Structure of the MscL homolog from Mycobacterium tuberculosis: A gated mechanosensitive ion channel
-
Chang G, Spencer RH, Lee AT, Barclay MT, Rees DC (1998) Structure of the MscL homolog from Mycobacterium tuberculosis: a gated mechanosensitive ion channel. Science 282:2220-2226
-
(1998)
Science
, vol.282
, pp. 2220-2226
-
-
Chang, G.1
Spencer, R.H.2
Lee, A.T.3
Barclay, M.T.4
Rees, D.C.5
-
24
-
-
0036430199
-
Proline-induced distortions of transmembrane helices
-
Cordes FS, Bright JN, Sansom MSP (2002) Proline-induced distortions of transmembrane helices. J Mol Biol 323:951-960
-
(2002)
J Mol Biol
, vol.323
, pp. 951-960
-
-
Cordes, F.S.1
Bright, J.N.2
Sansom, M.S.P.3
-
25
-
-
0034033431
-
Tests of continuum theories as models of ion channels. II. Poisson-Nernst Planck theory versus brownian dynamics
-
Corry B, Kuyucak S, Chung SH (2000) Tests of continuum theories as models of ion channels. II. Poisson-Nernst Planck theory versus brownian dynamics. Biophys J 78:2364-2381
-
(2000)
Biophys J
, vol.78
, pp. 2364-2381
-
-
Corry, B.1
Kuyucak, S.2
Chung, S.H.3
-
26
-
-
0035013633
-
Molecular architecture of full-length KcsA: Role of cytoplasmic domains in ion permeation and activation gating
-
Cortes DM, Cuello LG, Perozo E (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
-
28
-
-
0038009204
-
A potassium channel, ions and water: Simulation studies based on the high resolution X-ray structure of KcsA
-
in press
-
Domene C, Sansom MSP (2003) A potassium channel, ions and water: simulation studies based on the high resolution X-ray structure of KcsA. Biophys J (in press)
-
(2003)
Biophys J
-
-
Domene, C.1
Sansom, M.S.P.2
-
29
-
-
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
-
30
-
-
0037122805
-
X-ray structure of a C1C chloride channel at 3.0 Å reveals the molecular basis of anion selectivity
-
Dutzler R, Campbell EB, Cadene M, Chait BT, MacKinnon R (2002) X-ray structure of a C1C chloride channel at 3.0 Å reveals the molecular basis of anion selectivity. Nature 415:287-294
-
(2002)
Nature
, vol.415
, pp. 287-294
-
-
Dutzler, R.1
Campbell, E.B.2
Cadene, M.3
Chait, B.T.4
MacKinnon, R.5
-
34
-
-
0037198626
-
Crystal structure and mechanism of a calcium-gated potassium channel
-
Jiang Y, Lee A, Chen J, Cadene M, Chait BT, MacKinnon R (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
-
35
-
-
0037198625
-
The open pore conformation of potassium channels
-
Jiang Y, Lee A, Chen J, Cadene M, Chait BT, MacKinnon R (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
-
37
-
-
12444274301
-
Crystal structure of the potassium channel KirBac1.1 in the closed state
-
Kuo A, Gulbis JM, Antcliff JF, Rahman T, Lowe ED, Zimmer J, Cuthbertson J, Ashcroft FM, Ezaki T, Doyle DA (2003) Crystal structure of the potassium channel KirBac1.1 in the closed state. Science 330:1921-1926
-
(2003)
Science
, vol.330
, pp. 1921-1926
-
-
Kuo, A.1
Gulbis, J.M.2
Antcliff, J.F.3
Rahman, T.4
Lowe, E.D.5
Zimmer, J.6
Cuthbertson, J.7
Ashcroft, F.M.8
Ezaki, T.9
Doyle, D.A.10
-
39
-
-
0034817286
-
Structure of the KcsA channel intracellular gate in the open state
-
Liu Y, Sompornpisut P, Perozo E (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
-
-
0031880829
-
Adhesion forces of lipids in a phospholipid membrane studied by molecular dynamics simulations
-
Marrink SJ, Berger O, Tieleman DP, Jahnig F (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
-
41
-
-
0034763324
-
Hierarchical approach to predicting permeation in ion channels
-
Mashl RJ, Tang YZ, Schnitzer J, Jakobsson E (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
-
42
-
-
0038112088
-
Structure and gating mechanism of the acetylcholine receptor pore
-
Miyazawa A, Fujiyoshi Y, Unwin N (2003) Structure and gating mechanism of the acetylcholine receptor pore. Nature 423:949-955
-
(2003)
Nature
, vol.423
, pp. 949-955
-
-
Miyazawa, A.1
Fujiyoshi, Y.2
Unwin, N.3
-
47
-
-
0033516590
-
+ channel: Electrostatic stabilization of monovalent cations
-
+ channel: electrostatic stabilization of monovalent cations. Science 285:100-102
-
(1999)
Science
, vol.285
, pp. 100-102
-
-
Roux, B.1
MacKinnon, R.2
-
48
-
-
0039179572
-
Ion channels, permeation and electrostatics: Insight into the function of KcsA
-
Roux B, Bernèche S, Im W (2000) Ion channels, permeation and electrostatics: insight into the function of KcsA. Biochemistry 39:13295-13306
-
(2000)
Biochemistry
, vol.39
, pp. 13295-13306
-
-
Roux, B.1
Bernèche, S.2
Im, W.3
-
49
-
-
0037064231
-
Potassium channels: Structures, models, simulations
-
Sansom MSP, Shrivastava IH, Bright JN, Tate J, Capener CE, Biggin PC (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
-
50
-
-
0037133320
-
Intrinsic flexibility and gating mechanism of the potassium channel KcsA
-
Shen YF, Kong YF, Ma JP (2002) Intrinsic flexibility and gating mechanism of the potassium channel KcsA. Proc Natl Acad Sci USA 99:1949-1953
-
(2002)
Proc Natl Acad Sci USA
, vol.99
, pp. 1949-1953
-
-
Shen, Y.F.1
Kong, Y.F.2
Ma, J.P.3
-
51
-
-
0034036372
-
Simulations of ion permeation through a potassium channel: Molecular dynamics of KcsA in a phospholipid bilayer
-
Shrivastava IH, Sansom MSP (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
-
52
-
-
0036619450
-
Molecular dynamics simulations and KcsA channel gating
-
Shrivastava IH, Sansom MSP (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
-
54
-
-
0030404988
-
Hole: A program for the analysis of the pore dimensions of ion channel structural models
-
Smart OS, Neduvelil JG, Wang X, Wallace BA, Sansom MSP (1996) Hole: a program for the analysis of the pore dimensions of ion channel structural models. J Mol Graph 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
-
55
-
-
0035811210
-
Molecular dynamics simulations of antimicrobial peptides: From membrane binding to trans-membrane channels
-
Tieleman DP, Sansom MSP (2001) Molecular dynamics simulations of antimicrobial peptides: from membrane binding to trans-membrane channels. Int J Quantum Chem 83:166-179
-
(2001)
Int J Quantum Chem
, vol.83
, pp. 166-179
-
-
Tieleman, D.P.1
Sansom, M.S.P.2
-
56
-
-
0035132984
-
Voltage-dependent insertion of alamethicin at phospholipid/water and octane/water interfaces
-
Tieleman DP, Berendsen HJC, Sansom MSP (2001) Voltage-dependent insertion of alamethicin at phospholipid/water and octane/water interfaces. Biophys J 80:331-346
-
(2001)
Biophys J
, vol.80
, pp. 331-346
-
-
Tieleman, D.P.1
Berendsen, H.J.C.2
Sansom, M.S.P.3
-
57
-
-
0027506299
-
Nicotinic acetylcholine receptor at 9 Å resolution
-
Unwin N (1993) Nicotinic acetylcholine receptor at 9 Å resolution. J Mol Biol 229:1101-1124
-
(1993)
J Mol Biol
, vol.229
, pp. 1101-1124
-
-
Unwin, N.1
-
58
-
-
0028921479
-
Acetylcholine receptor channel imaged in the open state
-
Unwin N (1995) Acetylcholine receptor channel imaged in the open state. Nature 373:37-43
-
(1995)
Nature
, vol.373
, pp. 37-43
-
-
Unwin, N.1
-
59
-
-
0036304564
-
Activation of the nicotinic acetylcholine receptor involves a switch in conformation of the α subunits
-
Unwin N, Miyazawa A, Fujiyoshi Y (2002) Activation of the nicotinic acetylcholine receptor involves a switch in conformation of the α subunits. J Mol Biol 319:1165-1176
-
(2002)
J Mol Biol
, vol.319
, pp. 1165-1176
-
-
Unwin, N.1
Miyazawa, A.2
Fujiyoshi, Y.3
-
60
-
-
0037026489
-
The voltage-gated potassium channels and their relatives
-
Yellen G (2002) The voltage-gated potassium channels and their relatives. Nature 419:35-42
-
(2002)
Nature
, vol.419
, pp. 35-42
-
-
Yellen, G.1
-
61
-
-
0035499892
-
Chemistry of ion coordination and hydration revealed by a K+ channel-Fab complex at 2.0 Å resolution
-
Zhou Y, Morais-Cabral JH, Kaufman A, MacKinnon R (2001) Chemistry of ion coordination and hydration revealed by a K+ channel-Fab complex at 2.0 Å resolution. Nature 414:43-48
-
(2001)
Nature
, vol.414
, pp. 43-48
-
-
Zhou, Y.1
Morais-Cabral, J.H.2
Kaufman, A.3
MacKinnon, R.4
|