-
1
-
-
33644842630
-
Multipass membrane protein structure prediction using Rosetta
-
Yarov-Yarovoy V, Schonbrun J, Baker D. Multipass membrane protein structure prediction using Rosetta. Proteins 2006;62(4):1010-1025.
-
(2006)
Proteins
, vol.62
, Issue.4
, pp. 1010-1025
-
-
Yarov-Yarovoy, V.1
Schonbrun, J.2
Baker, D.3
-
2
-
-
33645300737
-
From molecule to malady
-
Ashcroft FM. From molecule to malady. Nature 2006;440(7083):440-447.
-
(2006)
Nature
, vol.440
, Issue.7083
, pp. 440-447
-
-
Ashcroft, F.M.1
-
3
-
-
62649145212
-
Evolution of the human ion channel set
-
Jegla TJ, Zmasek CM, Batalov S, Nayak SK. Evolution of the human ion channel set. Combin Chem High Throughput Screen 2009;12(1):2-23.
-
(2009)
Combin Chem High Throughput Screen
, vol.12
, Issue.1
, pp. 2-23
-
-
Jegla, T.J.1
Zmasek, C.M.2
Batalov, S.3
Nayak, S.K.4
-
4
-
-
13444280419
-
PDB_TM: selection and membrane localization of transmembrane proteins in the PDB
-
Tusnady GE, Dosztanyi Z, Simon I. PDB_TM: selection and membrane localization of transmembrane proteins in the PDB. Nucleic Acids Res 2005;33:D275-D278.
-
(2005)
Nucleic Acids Res
, vol.33
-
-
Tusnady, G.E.1
Dosztanyi, Z.2
Simon, I.3
-
5
-
-
84884197535
-
-
Membrane proteins of known structure at the Stephen White laboratory at UC irvine website. World Wide Web electronic publication, 1998-2013. Available at: accessed on 6th March 2013.
-
White S. Membrane proteins of known structure at the Stephen White laboratory at UC irvine website. World Wide Web electronic publication, 1998-2013. Available at: http://blanco.biomol.uci.edu/mpstruc/ accessed on 6th March 2013.
-
-
-
White, S.1
-
6
-
-
33644861214
-
OPM: orientations of proteins in membranes database
-
Lomize MA, Lomize AL, Pogozheva ID, Mosberg HI. OPM: orientations of proteins in membranes database. Bioinformatics 2006a;22(5):623-625.
-
(2006)
Bioinformatics
, vol.22
, Issue.5
, pp. 623-625
-
-
Lomize, M.A.1
Lomize, A.L.2
Pogozheva, I.D.3
Mosberg, H.I.4
-
7
-
-
33744490360
-
Positioning of proteins in membranes: a computational approach
-
Lomize AL, Pogozheva ID, Lomize MA, Mosberg HI. Positioning of proteins in membranes: a computational approach. Protein Sci 2006b;15(6):1318-1333.
-
(2006)
Protein Sci
, vol.15
, Issue.6
, pp. 1318-1333
-
-
Lomize, A.L.1
Pogozheva, I.D.2
Lomize, M.A.3
Mosberg, H.I.4
-
8
-
-
0019441262
-
Improved patch-clamp techniques for high-resolution current recording from cells and cell-free membrane patches
-
Hamill OP, Marty A, Neher E, Sakmann B, Sigworth FJ. Improved patch-clamp techniques for high-resolution current recording from cells and cell-free membrane patches. Pflugers Arch 1981;391:85-100.
-
(1981)
Pflugers Arch
, vol.391
, pp. 85-100
-
-
Hamill, O.P.1
Marty, A.2
Neher, E.3
Sakmann, B.4
Sigworth, F.J.5
-
9
-
-
38149012053
-
Role of the intracellular cavity in potassium channel conductivity
-
Furini S, Zerbetto F, Cavalcanti S. Role of the intracellular cavity in potassium channel conductivity. J Phys Chem B 2007;111(50):13993-14000.
-
(2007)
J Phys Chem B
, vol.111
, Issue.50
, pp. 13993-14000
-
-
Furini, S.1
Zerbetto, F.2
Cavalcanti, S.3
-
10
-
-
51649089665
-
Model-based prediction of the alpha-hemolysin structure in the hexameric state
-
Furini S, Domene C, Rossi M, Tartagni M, Cavalcanti S. Model-based prediction of the alpha-hemolysin structure in the hexameric state. Biophys J 2008:95(5):2265-2274.
-
(2008)
Biophys J
, vol.95
, Issue.5
, pp. 2265-2274
-
-
Furini, S.1
Domene, C.2
Rossi, M.3
Tartagni, M.4
Cavalcanti, S.5
-
11
-
-
0032705715
-
Molecular dynamics of synthetic leucine-serine ion channels in a phospholipid membrane
-
Randa HS, Forrest LR, Voth GA, Sansom MS. Molecular dynamics of synthetic leucine-serine ion channels in a phospholipid membrane. Biophys J 1999;77(5):2400-2410.
-
(1999)
Biophys J
, vol.77
, Issue.5
, pp. 2400-2410
-
-
Randa, H.S.1
Forrest, L.R.2
Voth, G.A.3
Sansom, M.S.4
-
12
-
-
0036301334
-
Ions and counterions in a biological channel: a molecular dynamics simulation of OmpF porin from Escherichia coli in an explicit membrane with 1 M KCl aqueous salt solution
-
Im W, Roux B. Ions and counterions in a biological channel: a molecular dynamics simulation of OmpF porin from Escherichia coli in an explicit membrane with 1 M KCl aqueous salt solution. J Mol Biol 2002a;319(5):1177-1197.
-
(2002)
J Mol Biol
, vol.319
, Issue.5
, pp. 1177-1197
-
-
Im, W.1
Roux, B.2
-
13
-
-
0032708637
-
Permeation of ions across the potassium channel: Brownian dynamics studies
-
Chung S-H, Allen TW, Hoyles M, Kuyucak S. Permeation of ions across the potassium channel: Brownian dynamics studies. Biophys J 1999;77(5):2517-2533.
-
(1999)
Biophys J
, vol.77
, Issue.5
, pp. 2517-2533
-
-
Chung, S.-H.1
Allen, T.W.2
Hoyles, M.3
Kuyucak, S.4
-
14
-
-
34248659156
-
Brownian dynamics simulation of charge transport in ion channels
-
Marreiro D, Saraniti M, Aboud S. Brownian dynamics simulation of charge transport in ion channels. J Phys Condens Matter 2007;19(21):215203.
-
(2007)
J Phys Condens Matter
, vol.19
, Issue.21
, pp. 215203
-
-
Marreiro, D.1
Saraniti, M.2
Aboud, S.3
-
15
-
-
83855161665
-
Web-based interface for Brownian dynamics simulation of ion channels and its applications to beta-barrel pores
-
Lee KI, Jo S, Rui H, Egwolf B, Roux B, Im W. Web-based interface for Brownian dynamics simulation of ion channels and its applications to beta-barrel pores. J Comput Chem 2012;33:331-339.
-
(2012)
J Comput Chem
, vol.33
, pp. 331-339
-
-
Lee, K.I.1
Jo, S.2
Rui, H.3
Egwolf, B.4
Roux, B.5
Im, W.6
-
16
-
-
0029876860
-
Computing the field in proteins and channels
-
Eisenberg B. Computing the field in proteins and channels. J Membr Biol 1996;150:1-25.
-
(1996)
J Membr Biol
, vol.150
, pp. 1-25
-
-
Eisenberg, B.1
-
17
-
-
0032343366
-
Ionic channels in biological membranes-electrostatic analysis of a natural nanotube
-
Eisenberg B. Ionic channels in biological membranes-electrostatic analysis of a natural nanotube. Contemp Phys 1998;39(6):447-466.
-
(1998)
Contemp Phys
, vol.39
, Issue.6
, pp. 447-466
-
-
Eisenberg, B.1
-
18
-
-
0033032906
-
A lattice relaxation algorithm for three-dimensional Poisson-Nernst-Planck theory with application to ion transport through the gramicidin A channel
-
Kurnikova MG, Coalson RD, Graf P, Nitzan A. A lattice relaxation algorithm for three-dimensional Poisson-Nernst-Planck theory with application to ion transport through the gramicidin A channel. Biophys J 1999;76:642-656.
-
(1999)
Biophys J
, vol.76
, pp. 642-656
-
-
Kurnikova, M.G.1
Coalson, R.D.2
Graf, P.3
Nitzan, A.4
-
19
-
-
78649552702
-
Soft wall ion channel in continuum representation with application to modeling ion currents in a-hemolysin
-
Simakov NA, Kurnikova MG. Soft wall ion channel in continuum representation with application to modeling ion currents in a-hemolysin. J Phys Chem B 2010;114(46):15180-15190.
-
(2010)
J Phys Chem B
, vol.114
, Issue.46
, pp. 15180-15190
-
-
Simakov, N.A.1
Kurnikova, M.G.2
-
20
-
-
15244338641
-
Ion permeation through the a-hemolysin channel: theoretical studies based on Brownian dynamics and Poisson-Nernst-Plank electrodiffusion theory
-
Noskov SY, Im W, Roux B. Ion permeation through the a-hemolysin channel: theoretical studies based on Brownian dynamics and Poisson-Nernst-Plank electrodiffusion theory. Biophys J 2004;87:2299-2309.
-
(2004)
Biophys J
, vol.87
, pp. 2299-2309
-
-
Noskov, S.Y.1
Im, W.2
Roux, B.3
-
21
-
-
12344270062
-
Hybrid MD-Nernst Planck model of a-hemolysin conductance properties
-
Cozmuta I, O'Keeffe JT, Bose D, Stolc V. Hybrid MD-Nernst Planck model of a-hemolysin conductance properties. Mol Simul 2005;31:79-93.
-
(2005)
Mol Simul
, vol.31
, pp. 79-93
-
-
Cozmuta, I.1
O'Keeffe, J.T.2
Bose, D.3
Stolc, V.4
-
22
-
-
47049115670
-
Ion flux through membrane channels-an enhanced algorithm for the Poisson-Nernst-Planck model
-
Dyrka W, Augousti AT, Kotulska M. Ion flux through membrane channels-an enhanced algorithm for the Poisson-Nernst-Planck model. J Comput Chem 2008;29(12):1876-1888.
-
(2008)
J Comput Chem
, vol.29
, Issue.12
, pp. 1876-1888
-
-
Dyrka, W.1
Augousti, A.T.2
Kotulska, M.3
-
23
-
-
0036389892
-
Ion permeation and selectivity of OmpF porin: a theoretical study based on molecular dynamics, Brownian dynamics, and continuum electrodiffusion theory
-
Im W, Roux B. Ion permeation and selectivity of OmpF porin: a theoretical study based on molecular dynamics, Brownian dynamics, and continuum electrodiffusion theory. J Mol Biol 2002b;322(4):851-869.
-
(2002)
J Mol Biol
, vol.322
, Issue.4
, pp. 851-869
-
-
Im, W.1
Roux, B.2
-
24
-
-
0034033431
-
Tests of continuum theories as models of ion channels. ii. Poisson-Nernst-Planck theory versus Brownian dynamics
-
Corry B, Kuyucak S, Chung S-H. Tests of continuum theories as models of ion channels. ii. Poisson-Nernst-Planck theory versus Brownian dynamics. Biophys J 2000;78:2364-2381.
-
(2000)
Biophys J
, vol.78
, pp. 2364-2381
-
-
Corry, B.1
Kuyucak, S.2
Chung, S.-H.3
-
25
-
-
0038101633
-
Dielectric self-energy in Poisson-Boltzmann and Poisson-Nernst-Planck models of ion channels
-
Corry B, Kuyucak S, Chung S-H. Dielectric self-energy in Poisson-Boltzmann and Poisson-Nernst-Planck models of ion channels. Biophys J 2003;84:3594-3606.
-
(2003)
Biophys J
, vol.84
, pp. 3594-3606
-
-
Corry, B.1
Kuyucak, S.2
Chung, S.-H.3
-
27
-
-
0037175732
-
Coupling poissonnernstplanck and density functional theory to calculate ion flux
-
Gillespie D, Nonner W, Eisenberg RS. Coupling poissonnernstplanck and density functional theory to calculate ion flux. J Phys Condens Matter 2002;14(36):12129.
-
(2002)
J Phys Condens Matter
, vol.14
, Issue.36
, pp. 12129
-
-
Gillespie, D.1
Nonner, W.2
Eisenberg, R.S.3
-
28
-
-
38949090423
-
Energetics of divalent selectivity in a calcium channel: the ryanodine receptor case study
-
Gillespie D. Energetics of divalent selectivity in a calcium channel: the ryanodine receptor case study. Biophys J 2008;94:1169-1184.
-
(2008)
Biophys J
, vol.94
, pp. 1169-1184
-
-
Gillespie, D.1
-
29
-
-
84858312085
-
Steady state electrodiffusion from the Nernst-Planck equation coupled to local equilibrium Monte Carlo simulations
-
Boda D, Gillespie D. Steady state electrodiffusion from the Nernst-Planck equation coupled to local equilibrium Monte Carlo simulations. J Chem Theory Comput 2012;8:824-829.
-
(2012)
J Chem Theory Comput
, vol.8
, pp. 824-829
-
-
Boda, D.1
Gillespie, D.2
-
30
-
-
0034516442
-
A dynamic lattice Monte Carlo model of ion transport in inhomogeneous dielectric environments: method and implementation
-
Graf P, Nitzan A, Kurnikova MG, Coalson RD. A dynamic lattice Monte Carlo model of ion transport in inhomogeneous dielectric environments: method and implementation. J Phys Chem B, 2000;104:12324-12338.
-
(2000)
J Phys Chem B,
, vol.104
, pp. 12324-12338
-
-
Graf, P.1
Nitzan, A.2
Kurnikova, M.G.3
Coalson, R.D.4
-
31
-
-
0035441903
-
Derivation of Poisson and Nernst-Planck equations in a bath and channel from a molecular model
-
Schuss Z, Nadler B, Eisenberg RS. Derivation of Poisson and Nernst-Planck equations in a bath and channel from a molecular model. Phys Rev E, 2001;64:036116.
-
(2001)
Phys Rev E,
, vol.64
, pp. 036116
-
-
Schuss, Z.1
Nadler, B.2
Eisenberg, R.S.3
-
32
-
-
79959557715
-
Testing the applicability of Nernst-Planck theory in ion channels: comparisons with Brownian dynamics simulations
-
Song C, Corry B. Testing the applicability of Nernst-Planck theory in ion channels: comparisons with Brownian dynamics simulations. PLoS One, 2011;6:e21204.
-
(2011)
PLoS One,
, vol.6
-
-
Song, C.1
Corry, B.2
-
33
-
-
0038440721
-
The role of the dielectric barrier in narrow biological channels: a novel composite approach to modeling single-channel currents
-
Mamonov AB, Coalson RD, Nitzan A, Kurnikova MG. The role of the dielectric barrier in narrow biological channels: a novel composite approach to modeling single-channel currents. Biophys J 2003;84:3646-3661.
-
(2003)
Biophys J
, vol.84
, pp. 3646-3661
-
-
Mamonov, A.B.1
Coalson, R.D.2
Nitzan, A.3
Kurnikova, M.G.4
-
34
-
-
15244344856
-
Poisson-Nernst-Planck theory approach to the calculation of current through biological ion channels
-
Coalson RD, Kurnikova MG. Poisson-Nernst-Planck theory approach to the calculation of current through biological ion channels. IEEE Trans NanoBiosci 2005;4:81-93.
-
(2005)
IEEE Trans NanoBiosci
, vol.4
, pp. 81-93
-
-
Coalson, R.D.1
Kurnikova, M.G.2
-
35
-
-
49649108879
-
Influence of nonlinear electrostatics on transfer energies between liquid phases: charge burial is far less expensive than born model
-
Gong H, Hocky G, Freed KF. Influence of nonlinear electrostatics on transfer energies between liquid phases: charge burial is far less expensive than born model. PNAS 2008;105(32):11146-11151.
-
(2008)
PNAS
, vol.105
, Issue.32
, pp. 11146-11151
-
-
Gong, H.1
Hocky, G.2
Freed, K.F.3
-
36
-
-
80051902503
-
A method for treating the passage of a charged hard sphere ion as it passes through a sharp dielectric boundary
-
Boda D, Henderson D, Eisenberg B, Gillespie D. A method for treating the passage of a charged hard sphere ion as it passes through a sharp dielectric boundary. J Chem Phys 2011;135:064105.
-
(2011)
J Chem Phys
, vol.135
, pp. 064105
-
-
Boda, D.1
Henderson, D.2
Eisenberg, B.3
Gillespie, D.4
-
37
-
-
79955476670
-
Second-order Poisson Nernst-Planck solver for ion channel transport
-
Zheng Q, Chen D, Wei G-W. Second-order Poisson Nernst-Planck solver for ion channel transport. J Comput Phys 2011;230(13):5239-5262.
-
(2011)
J Comput Phys
, vol.230
, Issue.13
, pp. 5239-5262
-
-
Zheng, Q.1
Chen, D.2
Wei, G.-W.3
-
38
-
-
33751234250
-
Application of the Poisson-Nernst-Planck theory with space-dependent diffusion coefficients to KcsA
-
Furini S, Zerbetto F, Cavalcanti S. Application of the Poisson-Nernst-Planck theory with space-dependent diffusion coefficients to KcsA. Biophys J 2006;91:3162-3169.
-
(2006)
Biophys J
, vol.91
, pp. 3162-3169
-
-
Furini, S.1
Zerbetto, F.2
Cavalcanti, S.3
-
39
-
-
84884194513
-
-
MATLAB Release 2011b, The MathWorks, Inc., Natick, Massachusetts, United States, 2011.
-
MATLAB Release 2011b, The MathWorks, Inc., Natick, Massachusetts, United States, 2011.
-
-
-
-
40
-
-
3242886771
-
PDB2PQR: an automated pipeline for the setup, execution, and analysis of Poisson-Boltzmann electrostatics calculations
-
Dolinsky TJ, Nielsen JE, McCammon JA, Baker NA. PDB2PQR: an automated pipeline for the setup, execution, and analysis of Poisson-Boltzmann electrostatics calculations. Nucleic Acids Res 2004;32:W665-W667.
-
(2004)
Nucleic Acids Res
, vol.32
-
-
Dolinsky, T.J.1
Nielsen, J.E.2
McCammon, J.A.3
Baker, N.A.4
-
41
-
-
28644432877
-
Very fast empirical prediction and interpretation of protein pKa values
-
Li H, Robertson AD, Jensen JH. Very fast empirical prediction and interpretation of protein pKa values. Proteins, 2005;61:704-721.
-
(2005)
Proteins,
, vol.61
, pp. 704-721
-
-
Li, H.1
Robertson, A.D.2
Jensen, J.H.3
-
42
-
-
79951476387
-
PROPKA3: consistent treatment of internal and surface residues in empirical pKa predictions
-
Olsson MHM, Sondergard CR, Rostkowski M, Jensen JH. PROPKA3: consistent treatment of internal and surface residues in empirical pKa predictions. J Chem Theory Comput 2011;7(2):525-537.
-
(2011)
J Chem Theory Comput
, vol.7
, Issue.2
, pp. 525-537
-
-
Olsson, M.H.M.1
Sondergard, C.R.2
Rostkowski, M.3
Jensen, J.H.4
-
43
-
-
0035964342
-
Electrostatics of nanosystems: application to microtubules and the ribosome
-
Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc Natl Acad Sci 2001;98(18):10037-10041.
-
(2001)
Proc Natl Acad Sci
, vol.98
, Issue.18
, pp. 10037-10041
-
-
Baker, N.A.1
Sept, D.2
Joseph, S.3
Holst, M.J.4
McCammon, J.A.5
-
44
-
-
22244445788
-
Imaging a-hemolysin with molecular dynamics: ionic conductance, osmotic permeability, and the electrostatic potential map
-
Aksimentiev A, Schulten K. Imaging a-hemolysin with molecular dynamics: ionic conductance, osmotic permeability, and the electrostatic potential map. Biophys J 2005;88:3745-61.
-
(2005)
Biophys J
, vol.88
, pp. 3745-3761
-
-
Aksimentiev, A.1
Schulten, K.2
-
45
-
-
0016751324
-
Drag coefficients for the movement of rigid spheres through liquid filled cylindrical pores
-
Paine PL, Scherr P. Drag coefficients for the movement of rigid spheres through liquid filled cylindrical pores. Biophys J 1975;15(10):1087-1091.
-
(1975)
Biophys J
, vol.15
, Issue.10
, pp. 1087-1091
-
-
Paine, P.L.1
Scherr, P.2
-
46
-
-
0031473847
-
SWISS-MODEL and the Swiss-PdbViewer: an environment for comparative protein modeling
-
Guex N, Peitsch MC. SWISS-MODEL and the Swiss-PdbViewer: an environment for comparative protein modeling. Electrophoresis 1997;18:2714-2723.
-
(1997)
Electrophoresis
, vol.18
, pp. 2714-2723
-
-
Guex, N.1
Peitsch, M.C.2
-
47
-
-
0030447720
-
Structure of staphylococcal alpha-hemolysin, a heptameric transmembrane pore
-
Song L, Hobaugh MR, Shustak C, Cheley S. Structure of staphylococcal alpha-hemolysin, a heptameric transmembrane pore. Science 1996;274(5294):1859-1866.
-
(1996)
Science
, vol.274
, Issue.5294
, pp. 1859-1866
-
-
Song, L.1
Hobaugh, M.R.2
Shustak, C.3
Cheley, S.4
-
48
-
-
0030710585
-
The charge state of an ion channel controls neutral polymer entry into its pore
-
Bezrukov SM, Kasianowicz JJ. The charge state of an ion channel controls neutral polymer entry into its pore. Euro Biophys J 1997;26:471-476.
-
(1997)
Euro Biophys J
, vol.26
, pp. 471-476
-
-
Bezrukov, S.M.1
Kasianowicz, J.J.2
-
49
-
-
0033798636
-
Interaction of the noncovalent molecular adapter, b-cyclodextrin, with the staphylococcal alpha-hemolysin pore
-
Gu L-Q, Bayley H. Interaction of the noncovalent molecular adapter, b-cyclodextrin, with the staphylococcal alpha-hemolysin pore. Biophys J 2000;79(4):1967-1975.
-
(2000)
Biophys J
, vol.79
, Issue.4
, pp. 1967-1975
-
-
Gu, L.-Q.1
Bayley, H.2
-
50
-
-
0036081266
-
Properties of bacillus cereus hemolysin ii: A heptameric transmembrane pore
-
Miles G, Bayley H, Cheley S. Properties of bacillus cereus hemolysin ii: A heptameric transmembrane pore. Protein Sci 2002;11(7):1813-1824.
-
(2002)
Protein Sci
, vol.11
, Issue.7
, pp. 1813-1824
-
-
Miles, G.1
Bayley, H.2
Cheley, S.3
-
51
-
-
0022504362
-
Ionic channels formed by Staphylococcus aureus alpha-toxin: voltage-dependent inhibition by divalent and trivalent cations
-
Menestrina G. Ionic channels formed by Staphylococcus aureus alpha-toxin: voltage-dependent inhibition by divalent and trivalent cations. J Membr Biol 1986;90(2):177-190.
-
(1986)
J Membr Biol
, vol.90
, Issue.2
, pp. 177-190
-
-
Menestrina, G.1
-
52
-
-
0026641089
-
Functional expression of the a-hemolysin of staphylococcus aureus in intact Escherichia coli and in cell lysates. Deletion of five C-terminal amino acids selectively impairs hemolytic activity
-
Walker B, Krishnasastry M, Zorn L, Kasianowicz J, Bayley H. Functional expression of the a-hemolysin of staphylococcus aureus in intact Escherichia coli and in cell lysates. Deletion of five C-terminal amino acids selectively impairs hemolytic activity. J Biol Chem 1992;267(15):10902-10909.
-
(1992)
J Biol Chem
, vol.267
, Issue.15
, pp. 10902-10909
-
-
Walker, B.1
Krishnasastry, M.2
Zorn, L.3
Kasianowicz, J.4
Bayley, H.5
-
53
-
-
0034635954
-
Reversal of charge selectivity in transmembrane protein pores by using noncovalent molecular adapters
-
Gu L-G, Serra MD, Vincent JB, Vigh G, Cheley S, Braha O, Bayley. Reversal of charge selectivity in transmembrane protein pores by using noncovalent molecular adapters. Proc Natl Acad Sci 2000;97(8):3959-3964.
-
(2000)
Proc Natl Acad Sci
, vol.97
, Issue.8
, pp. 3959-3964
-
-
Gu, L.-G.1
Serra, M.D.2
Vincent, J.B.3
Vigh, G.4
Cheley, S.5
Braha, O.6
Bayley7
-
54
-
-
58149267953
-
X-ray structure of a pentameric ligand-gated ion channel in an apparently open conformation
-
Bocquet N, Nury H, Baaden M, Poupon CL, Changeux J-P, Delarue M, Corringer P-J. X-ray structure of a pentameric ligand-gated ion channel in an apparently open conformation. Nature 2009;457(7225):111-114.
-
(2009)
Nature
, vol.457
, Issue.7225
, pp. 111-114
-
-
Bocquet, N.1
Nury, H.2
Baaden, M.3
Poupon, C.L.4
Changeux, J.-P.5
Delarue, M.6
Corringer, P.-J.7
-
55
-
-
76249132103
-
Ion conduction in ligand-gated ion channels-Brownian dynamics studies of four recent crystal structures
-
Song C, Corry B. Ion conduction in ligand-gated ion channels-Brownian dynamics studies of four recent crystal structures. Biophys J 2010;98(3):404-411.
-
(2010)
Biophys J
, vol.98
, Issue.3
, pp. 404-411
-
-
Song, C.1
Corry, B.2
-
56
-
-
33846106078
-
A prokaryotic proton-gated ion channel from the nicotinic acetylcholine receptor family
-
Bocquet N, de Carvalho LP, Cartaud J, Neyton J, Poupon CL, Taly A, Grutter T, Changeux JP, Corringer P-J. A prokaryotic proton-gated ion channel from the nicotinic acetylcholine receptor family. Nature 2007;445(7123):116-119.
-
(2007)
Nature
, vol.445
, Issue.7123
, pp. 116-119
-
-
Bocquet, N.1
de Carvalho, L.P.2
Cartaud, J.3
Neyton, J.4
Poupon, C.L.5
Taly, A.6
Grutter, T.7
Changeux, J.P.8
Corringer, P.-J.9
-
57
-
-
0026656037
-
Mutations in the channel domain of a neuronal nicotinic receptor convert ion selectivity from cationic to anionic
-
Galzi J-L, Devillers-Thiery A, Hussy N, Bertrand S, Changeux J-P, Bertrand D. Mutations in the channel domain of a neuronal nicotinic receptor convert ion selectivity from cationic to anionic. Nature 1992;359(6395):500-505.
-
(1992)
Nature
, vol.359
, Issue.6395
, pp. 500-505
-
-
Galzi, J.-L.1
Devillers-Thiery, A.2
Hussy, N.3
Bertrand, S.4
Changeux, J.-P.5
Bertrand, D.6
-
58
-
-
0035815730
-
Conversion of the ion selectivity of the 5-HT3A receptor from cationic to anionic reveals a conserved feature of the ligand-gated ion channel superfamily
-
Gunthorpe MJ, Lummis SCR. Conversion of the ion selectivity of the 5-HT3A receptor from cationic to anionic reveals a conserved feature of the ligand-gated ion channel superfamily. J Biol Chem 2001;276(14):10977-10983.
-
(2001)
J Biol Chem
, vol.276
, Issue.14
, pp. 10977-10983
-
-
Gunthorpe, M.J.1
Lummis, S.C.R.2
-
59
-
-
41149168686
-
X-ray structure of a prokaryotic pentameric ligand-gated ion channel
-
Hilf RJC, Dutzler R. X-ray structure of a prokaryotic pentameric ligand-gated ion channel. Nature 2008;452:375-379.
-
(2008)
Nature
, vol.452
, pp. 375-379
-
-
Hilf, R.J.C.1
Dutzler, R.2
-
60
-
-
0032478818
-
The structure of the potassium channel: molecular basis of K+ conduction and selectivity
-
Doyle DA, Cabral JM, Pfuetzner RA, Kuo A, Gulbis JM, Cohen SL, Chait BT, MacKinnon R. The structure of the potassium channel: molecular basis of K+ conduction and selectivity. Science 1998;280(5360):69-77.
-
(1998)
Science
, vol.280
, Issue.5360
, 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
Chait, B.T.7
MacKinnon, R.8
-
61
-
-
0035499892
-
Chemistry of ion coordination and hydration revealed by a K+ channel-Fab complex at 2.0å resolution
-
Zhou Y, Morais-Cabral J, Kaufman A, MacKinnon R. Chemistry of ion coordination and hydration revealed by a K+ channel-Fab complex at 2.0å resolution. Nature 2001;414(6859):43-48.
-
(2001)
Nature
, vol.414
, Issue.6859
, pp. 43-48
-
-
Zhou, Y.1
Morais-Cabral, J.2
Kaufman, A.3
MacKinnon, R.4
-
62
-
-
0142185496
-
The occupancy of ions in the K+ selectivity filter: charge balance and coupling of ion binding to a protein conformational change underlie high conduction rates
-
Zhou Y, MacKinnon R. The occupancy of ions in the K+ selectivity filter: charge balance and coupling of ion binding to a protein conformational change underlie high conduction rates. J Mol Biol 2003;333(5):965-975.
-
(2003)
J Mol Biol
, vol.333
, Issue.5
, pp. 965-975
-
-
Zhou, Y.1
MacKinnon, R.2
-
63
-
-
77954485089
-
Structural mechanism of C-type inactivation in K+ channels
-
Cuello LG, Jogini V, Cortes DM, Perozo E. Structural mechanism of C-type inactivation in K+ channels. Nature 2010a;466(7303):203-208.
-
(2010)
Nature
, vol.466
, Issue.7303
, pp. 203-208
-
-
Cuello, L.G.1
Jogini, V.2
Cortes, D.M.3
Perozo, E.4
-
64
-
-
77954515664
-
Structural basis for the coupling between activation and inactivation gates in K+ channels
-
Cuello LG, Jogini V, Cortes DM, Pan AC, Gagnon DG, Dalmas O, Cordero-Morales J, Chakrapani S, Roux B, Perozo E. Structural basis for the coupling between activation and inactivation gates in K+ channels. Nature 2010b;466(7303):272-275.
-
(2010)
Nature
, vol.466
, Issue.7303
, pp. 272-275
-
-
Cuello, L.G.1
Jogini, V.2
Cortes, D.M.3
Pan, A.C.4
Gagnon, D.G.5
Dalmas, O.6
Cordero-Morales, J.7
Chakrapani, S.8
Roux, B.9
Perozo, E.10
-
66
-
-
73549084702
-
Inactivation of the KcsA potassium channel explored with heterotetramers
-
Rotem D, Mason A, Bayley H. Inactivation of the KcsA potassium channel explored with heterotetramers. J Gen Physiol 2009;135(1):29-42.
-
(2009)
J Gen Physiol
, vol.135
, Issue.1
, pp. 29-42
-
-
Rotem, D.1
Mason, A.2
Bayley, H.3
-
67
-
-
0019887799
-
Identification of common molecular subsequences
-
Smith TF, Waterman MS. Identification of common molecular subsequences. J Mol Biol 1981;147(1):195-197.
-
(1981)
J Mol Biol
, vol.147
, Issue.1
, pp. 195-197
-
-
Smith, T.F.1
Waterman, M.S.2
-
68
-
-
0037198626
-
Crystal structure and mechanism of a calcium-gated potassium channel
-
Jiang Y, Lee A, Chen J, Cadene M, Chait BT, MacKinnon R. Crystal structure and mechanism of a calcium-gated potassium channel. Nature 2002;417(6888):515-522.
-
(2002)
Nature
, vol.417
, Issue.6888
, pp. 515-522
-
-
Jiang, Y.1
Lee, A.2
Chen, J.3
Cadene, M.4
Chait, B.T.5
MacKinnon, R.6
-
69
-
-
77955423895
-
Novel insights into K+ selectivity from high-resolution structures of an open K+ channel pore
-
Ye S, Li Y, Jiang Y. Novel insights into K+ selectivity from high-resolution structures of an open K+ channel pore. Nat Struct Mol Biol 2010;17(8):1019-1023.
-
(2010)
Nat Struct Mol Biol
, vol.17
, Issue.8
, pp. 1019-1023
-
-
Ye, S.1
Li, Y.2
Jiang, Y.3
-
70
-
-
33846581039
-
Gating and inward rectifying properties of the MthK K+ channel with and without the gating ring
-
Li Y, Berke I, Chen L, Jiang Y. Gating and inward rectifying properties of the MthK K+ channel with and without the gating ring. J Gen Physiol 2007;129(2):109-120.
-
(2007)
J Gen Physiol
, vol.129
, Issue.2
, pp. 109-120
-
-
Li, Y.1
Berke, I.2
Chen, L.3
Jiang, Y.4
-
71
-
-
0035924329
-
Structural basis of water-specific transport through the AQP1 water channel
-
Sui H, Han B-G, Lee JK, Walian P, Jap BK. Structural basis of water-specific transport through the AQP1 water channel. Nature 2001;414(6866):872-878.
-
(2001)
Nature
, vol.414
, Issue.6866
, pp. 872-878
-
-
Sui, H.1
Han, B.-G.2
Lee, J.K.3
Walian, P.4
Jap, B.K.5
-
72
-
-
2942696371
-
Single amino acids in the carboxyl terminal domain of aquaporin-1 contribute to cGMP-dependent ion channel activation
-
Boassa D, Yool AJ. Single amino acids in the carboxyl terminal domain of aquaporin-1 contribute to cGMP-dependent ion channel activation. BMC Physiol 2003;3:1-13.
-
(2003)
BMC Physiol
, vol.3
, pp. 1-13
-
-
Boassa, D.1
Yool, A.J.2
-
73
-
-
0029809458
-
Forskolin stimulation of water and cation permeability in aquaporin1 water channels
-
Yool AJ, Stamer WD, Regan JW. Forskolin stimulation of water and cation permeability in aquaporin1 water channels. Science 1996;273(5279):1216-1218.
-
(1996)
Science
, vol.273
, Issue.5279
, pp. 1216-1218
-
-
Yool, A.J.1
Stamer, W.D.2
Regan, J.W.3
-
74
-
-
0031040081
-
Aquaporins and ion conductance
-
Agre P, Lee MD, Devidas S, Guggino WB. Aquaporins and ion conductance. Science 1997;275(5305):1490-1492.
-
(1997)
Science
, vol.275
, Issue.5305
, pp. 1490-1492
-
-
Agre, P.1
Lee, M.D.2
Devidas, S.3
Guggino, W.B.4
-
75
-
-
1642524232
-
Aquaporin-1, nothing but a water channel
-
Tsunoda SP, Wiesner B, Lorenz D, Rosenthal W, Pohl P. Aquaporin-1, nothing but a water channel. J Biol Chem 2004;279(12):11364-11367.
-
(2004)
J Biol Chem
, vol.279
, Issue.12
, pp. 11364-11367
-
-
Tsunoda, S.P.1
Wiesner, B.2
Lorenz, D.3
Rosenthal, W.4
Pohl, P.5
-
76
-
-
33747050114
-
Ion channel function of aquaporin-1 natively expressed in choroid plexus
-
Boassa D, Stamer WD, Yool AJ. Ion channel function of aquaporin-1 natively expressed in choroid plexus. J Neurosci 2006;26(30):7811-7819.
-
(2006)
J Neurosci
, vol.26
, Issue.30
, pp. 7811-7819
-
-
Boassa, D.1
Stamer, W.D.2
Yool, A.J.3
-
77
-
-
0035943688
-
Water and ion permeation of aquaporin-1 in planar lipid bilayers. Major differences in structural determinants and stoichiometry
-
Saparov SM, Kozono D, Rothe U, Agre P, Pohl P. Water and ion permeation of aquaporin-1 in planar lipid bilayers. Major differences in structural determinants and stoichiometry. J Biol Chem 2001;276(34):31515-31520.
-
(2001)
J Biol Chem
, vol.276
, Issue.34
, pp. 31515-31520
-
-
Saparov, S.M.1
Kozono, D.2
Rothe, U.3
Agre, P.4
Pohl, P.5
-
78
-
-
0034102274
-
Cloned human aquaporin-1 is a cyclic GMP-gated ion channel
-
Anthony TL, Brooks HL, Boassa D, Leonov S, Yanochko GM, Regan JW, Yool AJ. Cloned human aquaporin-1 is a cyclic GMP-gated ion channel. Mol Pharmacol 2000;57(3):576-588.
-
(2000)
Mol Pharmacol
, vol.57
, Issue.3
, pp. 576-588
-
-
Anthony, T.L.1
Brooks, H.L.2
Boassa, D.3
Leonov, S.4
Yanochko, G.M.5
Regan, J.W.6
Yool, A.J.7
-
79
-
-
27744482622
-
Conductance and ion selectivity of a mesoscopic protein nanopore probed with cysteine scanning mutagenesis
-
Merzlyak PG, Capistrano M-FP, Valeva A, Kasianowicz JJ, Krasilnikov OV. Conductance and ion selectivity of a mesoscopic protein nanopore probed with cysteine scanning mutagenesis. Biophys J 2005;89(5):3059-3070.
-
(2005)
Biophys J
, vol.89
, Issue.5
, pp. 3059-3070
-
-
Merzlyak, P.G.1
Capistrano, M.-F.2
Valeva, A.3
Kasianowicz, J.J.4
Krasilnikov, O.V.5
-
80
-
-
0033779406
-
Electrophysiological evidence for heptameric stoichiometry of ion channels formed by staphylococcus aureus alpha-toxin in planar lipid bilayers
-
Krasilnikov OV, Merzlyak PG, Yuldasheva LN, Rodrigues CG, Bhakdi S, Valeva A. Electrophysiological evidence for heptameric stoichiometry of ion channels formed by staphylococcus aureus alpha-toxin in planar lipid bilayers. Mol Microbiol 2000;37(6):1372-1378.
-
(2000)
Mol Microbiol
, vol.37
, Issue.6
, pp. 1372-1378
-
-
Krasilnikov, O.V.1
Merzlyak, P.G.2
Yuldasheva, L.N.3
Rodrigues, C.G.4
Bhakdi, S.5
Valeva, A.6
-
81
-
-
0029011701
-
A second generation force field for the simulation of proteins, nucleic acids, and organic molecules
-
Cornell WD, Cieplak P, Bayly CI, Gould IR, Merz KM, Ferguson DM, Spellmeyer DC, Fox T, Caldwell JW, Kollman PA. A second generation force field for the simulation of proteins, nucleic acids, and organic molecules. J Am Chem Soc 1995;117(19):5179-5197.
-
(1995)
J Am Chem Soc
, vol.117
, Issue.19
, 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
-
82
-
-
0001398008
-
How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules?
-
Wang J, Cieplak P, Kollman PA. How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules? J Comput Chem 2000;21(12):1049-1074.
-
(2000)
J Comput Chem
, vol.21
, Issue.12
, pp. 1049-1074
-
-
Wang, J.1
Cieplak, P.2
Kollman, P.A.3
-
83
-
-
84986512474
-
CHARMM: a program for macromolecular energy, minimization, and dynamics calculations
-
Brooks BR, Bruccoleri RE, Olafson DJ, States DJ, Swaminathan S, Karplus M. CHARMM: a program for macromolecular energy, minimization, and dynamics calculations. J Comput Chem 1983;4:187-217.
-
(1983)
J Comput Chem
, vol.4
, pp. 187-217
-
-
Brooks, B.R.1
Bruccoleri, R.E.2
Olafson, D.J.3
States, D.J.4
Swaminathan, S.5
Karplus, M.6
-
84
-
-
67650500988
-
CHARMM: the biomolecular simulation program
-
Brooks BR, Brooks CL, III, Mackerell AD, Jr, Nilsson L, Petrella RJ, Roux B, Won Y, Archontis G, Bartels C, Boresch S, Caflisch A, Caves L, Cui Q, Dinner AR, Feig M, Fischer S, Gao J, Hodoscek M, Im W, Kuczera K, Lazaridis T, Ma J, Ovchinnikov V, Paci E, Pastor RW, Post CB, Pu JZ, Schaefer M, Tidor B, Venable RM, Woodcock HL, Wu X, Yang W, York DM, Karplus M. CHARMM: the biomolecular simulation program. J Comput Chem 2009;30(10, Sp. Iss. SI):1545-1614.
-
(2009)
J Comput Chem
, vol.30
, Issue.10 SP. ISS. SI
, pp. 1545-1614
-
-
Brooks, B.R.1
Brooks III, C.L.2
Mackerell Jr., A.D.3
Nilsson, L.4
Petrella, R.J.5
Roux, B.6
Won, Y.7
Archontis, G.8
Bartels, C.9
Boresch, S.10
Caflisch, A.11
Caves, L.12
Cui, Q.13
Dinner, A.R.14
Feig, M.15
Fischer, S.16
Gao, J.17
Hodoscek, M.18
Im, W.19
Kuczera, K.20
Lazaridis, T.21
Ma, J.22
Ovchinnikov, V.23
Paci, E.24
Pastor, R.W.25
Post, C.B.26
Pu, J.Z.27
Schaefer, M.28
Tidor, B.29
Venable, R.M.30
Woodcock, H.L.31
Wu, X.32
Yang, W.33
York, D.M.34
Karplus, M.35
more..
-
86
-
-
33745041507
-
Molecular determinants of gating at the potassium-channel selectivity filter
-
Cordero-Morales JF, Cuello LG, Zhao Y, Jogini V, Cortes DM, Roux B, Perozo E. Molecular determinants of gating at the potassium-channel selectivity filter. Nat Struct Mol Biol 2006;13:311-318.
-
(2006)
Nat Struct Mol Biol
, vol.13
, pp. 311-318
-
-
Cordero-Morales, J.F.1
Cuello, L.G.2
Zhao, Y.3
Jogini, V.4
Cortes, D.M.5
Roux, B.6
Perozo, E.7
-
87
-
-
84884199122
-
-
Physical Chemistry for the Life Sciences. Thermodynamics of ion and electron transport, 2nd ed. Oxford, UK: Oxford University Press
-
Atkins P, de Paula J. Physical Chemistry for the Life Sciences. Thermodynamics of ion and electron transport, 2nd ed. Oxford, UK: Oxford University Press, 2010.
-
(2010)
-
-
Atkins, P.1
de Paula, J.2
-
88
-
-
77956944534
-
Energy variational analysis of ions in water and channels: field theory for primitive models of complex ionic fluids
-
Eisenberg B. Energy variational analysis of ions in water and channels: field theory for primitive models of complex ionic fluids. J Chem Phys 2010;133:104104.
-
(2010)
J Chem Phys
, vol.133
, pp. 104104
-
-
Eisenberg, B.1
-
89
-
-
84894692021
-
-
Crowded Charges in Ion Channels, in Advances in Chemical Physics, eds. S. A. Rice and A. R. Dinner,John Wiley & Sons, Inc., Hoboken, NJ, USA. doi: 10.1002/9781118158715.ch2.
-
Eisenberg B. Crowded Charges in Ion Channels, in Advances in Chemical Physics, eds. S. A. Rice and A. R. Dinner, Vol. 148. John Wiley & Sons, Inc., Hoboken, NJ, USA. 2011. doi: 10.1002/9781118158715.ch2.
-
(2011)
, vol.148
-
-
Eisenberg, B.1
-
90
-
-
0036156678
-
The ionization state and the conformation of Glu-71 in the KcsA K(+) channel
-
Berneche S, Roux B. The ionization state and the conformation of Glu-71 in the KcsA K(+) channel. Biophys J 2002;82(2):772-780.
-
(2002)
Biophys J
, vol.82
, Issue.2
, pp. 772-780
-
-
Berneche, S.1
Roux, B.2
-
91
-
-
78649458537
-
Voltage-dependent inactivation gating at the selectivity filter of the MthK K+ channel
-
Thomson AS, Rothberg BS. Voltage-dependent inactivation gating at the selectivity filter of the MthK K+ channel. J Gen Physiol 2010, 136(5):569-579.
-
(2010)
J Gen Physiol
, vol.136
, Issue.5
, pp. 569-579
-
-
Thomson, A.S.1
Rothberg, B.S.2
-
92
-
-
77950393263
-
An efficient algorithm for classical density functional theory in three dimensions: ionic solutions
-
Knepley MG, Karpeev D, Davidovits S, Eisenberg RS, Gillespie D. An efficient algorithm for classical density functional theory in three dimensions: ionic solutions. J Chem Phys 2010;132:124101.
-
(2010)
J Chem Phys
, vol.132
, pp. 124101
-
-
Knepley, M.G.1
Karpeev, D.2
Davidovits, S.3
Eisenberg, R.S.4
Gillespie, D.5
-
93
-
-
16344382423
-
Permeation properties of an engineered bacterial OmpF porin containing the EEEE-locus of Ca2+ channels
-
Miedema H, Meter-Arkema A, Wierenga J, Tang J, Eisenberg B, Nonner W, Hektor H, Gillespie D, Meijberg W. Permeation properties of an engineered bacterial OmpF porin containing the EEEE-locus of Ca2+ channels. Biophys J 2004;87:3137-47.
-
(2004)
Biophys J
, vol.87
, pp. 3137-3147
-
-
Miedema, H.1
Meter-Arkema, A.2
Wierenga, J.3
Tang, J.4
Eisenberg, B.5
Nonner, W.6
Hektor, H.7
Gillespie, D.8
Meijberg, W.9
-
94
-
-
79960228913
-
Mass action in ionic solutions
-
Eisenberg B. Mass action in ionic solutions. Chem Phys Lett 2011b;511:1-6.
-
(2011)
Chem Phys Lett
, vol.511
, pp. 1-6
-
-
Eisenberg, B.1
|