메뉴 건너뛰기




Volumn 6, Issue 5, 2011, Pages

Continuum molecular simulation of large conformational changes during ion-channel gating

Author keywords

[No Author keywords available]

Indexed keywords

POTASSIUM CHANNEL; POTASSIUM CHANNEL KV7.1; UNCLASSIFIED DRUG;

EID: 79956292287     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0020186     Document Type: Article
Times cited : (12)

References (33)
  • 2
    • 0028020035 scopus 로고
    • Molecular dynamics simulation of the gramicidin channel in a phospholipid bilayer
    • Woolf TB, Roux B, (1994) Molecular dynamics simulation of the gramicidin channel in a phospholipid bilayer. Proc Natl Acad Sci U S A 91: 11631-11635.
    • (1994) Proc Natl Acad Sci U S A , vol.91 , pp. 11631-11635
    • Woolf, T.B.1    Roux, B.2
  • 3
    • 77957937199 scopus 로고    scopus 로고
    • Atomic-Level Characterization of the Structural Dynamics of Proteins
    • Shaw DE, Maragakis P, Lindorff-Larsen K, Piana S, Dror RO, et al. (2010) Atomic-Level Characterization of the Structural Dynamics of Proteins. Science 330: 341-346.
    • (2010) Science , vol.330 , pp. 341-346
    • Shaw, D.E.1    Maragakis, P.2    Lindorff-Larsen, K.3    Piana, S.4    Dror, R.O.5
  • 4
    • 0027794972 scopus 로고
    • Targeted Molecular-Dynamics Simulation of Conformational Change - Application to the T[-]R Transition in Insulin
    • Schlitter J, Engels M, Kruger P, Jacoby E, Wollmer A, (1993) Targeted Molecular-Dynamics Simulation of Conformational Change- Application to the T[-]R Transition in Insulin. Molecular Simulation 10: 291-&.
    • (1993) Molecular Simulation , vol.10 , pp. 291
    • Schlitter, J.1    Engels, M.2    Kruger, P.3    Jacoby, E.4    Wollmer, A.5
  • 5
    • 0001702831 scopus 로고    scopus 로고
    • Free energy from constrained molecular dynamics
    • Sprik M, Ciccotti G, (1998) Free energy from constrained molecular dynamics. Journal of Chemical Physics 109: 7737-7744.
    • (1998) Journal of Chemical Physics , vol.109 , pp. 7737-7744
    • Sprik, M.1    Ciccotti, G.2
  • 6
    • 77950448255 scopus 로고    scopus 로고
    • Large-scale conformational sampling of proteins using temperature-accelerated molecular dynamics
    • Abrams CF, Vanden-Eijnden E, (2010) Large-scale conformational sampling of proteins using temperature-accelerated molecular dynamics. Proc Natl Acad Sci U S A.
    • (2010) Proc Natl Acad Sci U S A
    • Abrams, C.F.1    Vanden-Eijnden, E.2
  • 7
    • 0036928148 scopus 로고    scopus 로고
    • Validity of Go models: Comparison with a solvent-shielded empirical energy decomposition
    • Paci E, Vendruscolo M, Karplus M, (2002) Validity of Go models: Comparison with a solvent-shielded empirical energy decomposition. Biophysical Journal 83: 3032-3038.
    • (2002) Biophysical Journal , vol.83 , pp. 3032-3038
    • Paci, E.1    Vendruscolo, M.2    Karplus, M.3
  • 8
    • 33646471468 scopus 로고
    • Statistical mechanics of fluid mixtures
    • Kirkwood JG, (1935) Statistical mechanics of fluid mixtures. Journal of Chemical Physics 3: 300-313.
    • (1935) Journal of Chemical Physics , vol.3 , pp. 300-313
    • Kirkwood, J.G.1
  • 9
    • 34547648681 scopus 로고    scopus 로고
    • Collective Langevin dynamics of conformational motions in proteins
    • Lange OF, Grubmuller H, (2006) Collective Langevin dynamics of conformational motions in proteins. Journal of Chemical Physics 124:-.
    • (2006) Journal of Chemical Physics , vol.124
    • Lange, O.F.1    Grubmuller, H.2
  • 10
    • 67650469581 scopus 로고    scopus 로고
    • A multiscale model linking ion-channel molecular dynamics and electrostatics to the cardiac action potential
    • Silva JR, Pan H, Wu D, Nekouzadeh A, Decker KF, et al. (2009) A multiscale model linking ion-channel molecular dynamics and electrostatics to the cardiac action potential. Proc Natl Acad Sci U S A 106: 11102-11106.
    • (2009) Proc Natl Acad Sci U S A , vol.106 , pp. 11102-11106
    • Silva, J.R.1    Pan, H.2    Wu, D.3    Nekouzadeh, A.4    Decker, K.F.5
  • 11
    • 77953049913 scopus 로고    scopus 로고
    • Multi-scale electrophysiology modeling: from atom to organ
    • Silva JR, Rudy Y, (2010) Multi-scale electrophysiology modeling: from atom to organ. J Gen Physiol 135: 575-581.
    • (2010) J Gen Physiol , vol.135 , pp. 575-581
    • Silva, J.R.1    Rudy, Y.2
  • 13
    • 23244456428 scopus 로고    scopus 로고
    • Crystal structure of a mammalian voltage-dependent Shaker family K+ channel
    • Long SB, Campbell EB, Mackinnon R, (2005) Crystal structure of a mammalian voltage-dependent Shaker family K+ channel. Science 309: 897-903.
    • (2005) Science , vol.309 , pp. 897-903
    • Long, S.B.1    Campbell, E.B.2    Mackinnon, R.3
  • 14
    • 0025275758 scopus 로고
    • Gating mechanism of a cloned potassium channel expressed in frog oocytes and mammalian cells
    • Koren G, Liman ER, Logothetis DE, Nadal-Ginard B, Hess P, (1990) Gating mechanism of a cloned potassium channel expressed in frog oocytes and mammalian cells. Neuron 4: 39-51.
    • (1990) Neuron , vol.4 , pp. 39-51
    • Koren, G.1    Liman, E.R.2    Logothetis, D.E.3    Nadal-Ginard, B.4    Hess, P.5
  • 15
    • 55949111753 scopus 로고    scopus 로고
    • Modeling subunit cooperativity in opening of tetrameric ion channels
    • Nekouzadeh A, Silva JR, Rudy Y, (2008) Modeling subunit cooperativity in opening of tetrameric ion channels. Biophys J 95: 3510-3520.
    • (2008) Biophys J , vol.95 , pp. 3510-3520
    • Nekouzadeh, A.1    Silva, J.R.2    Rudy, Y.3
  • 16
    • 17044460689 scopus 로고    scopus 로고
    • Three transmembrane conformations and sequence-dependent displacement of the S4 domain in shaker K+ channel gating
    • Baker OS, Larsson HP, Mannuzzu LM, Isacoff EY, (1998) Three transmembrane conformations and sequence-dependent displacement of the S4 domain in shaker K+ channel gating. Neuron 20: 1283-1294.
    • (1998) Neuron , vol.20 , pp. 1283-1294
    • Baker, O.S.1    Larsson, H.P.2    Mannuzzu, L.M.3    Isacoff, E.Y.4
  • 17
    • 12344259926 scopus 로고    scopus 로고
    • The cooperative voltage sensor motion that gates a potassium channel
    • Pathak M, Kurtz L, Tombola F, Isacoff E, (2005) The cooperative voltage sensor motion that gates a potassium channel. J Gen Physiol 125: 57-69.
    • (2005) J Gen Physiol , vol.125 , pp. 57-69
    • Pathak, M.1    Kurtz, L.2    Tombola, F.3    Isacoff, E.4
  • 18
    • 79956293894 scopus 로고    scopus 로고
    • Three Residue Loop Closure in Proteins: A New Kinematic Method Reveals a Locus of Connected Loop Conformations
    • In Revision
    • Nekouzadeh A, Rudy Y, (2011) Three Residue Loop Closure in Proteins: A New Kinematic Method Reveals a Locus of Connected Loop Conformations. In Revision.
    • (2011)
    • Nekouzadeh, A.1    Rudy, Y.2
  • 19
    • 28744445631 scopus 로고    scopus 로고
    • How far will you go to sense voltage?
    • Tombola F, Pathak MM, Isacoff EY, (2005) How far will you go to sense voltage? Neuron 48: 719-725.
    • (2005) Neuron , vol.48 , pp. 719-725
    • Tombola, F.1    Pathak, M.M.2    Isacoff, E.Y.3
  • 20
    • 46149091062 scopus 로고    scopus 로고
    • Extent of voltage sensor movement during gating of shaker K+ channels
    • Posson DJ, Selvin PR, (2008) Extent of voltage sensor movement during gating of shaker K+ channels. Neuron 59: 98-109.
    • (2008) Neuron , vol.59 , pp. 98-109
    • Posson, D.J.1    Selvin, P.R.2
  • 21
    • 0001195575 scopus 로고
    • On the Determination of Molecular Fields. II. From the Equation of State of a Gas
    • Jones JE, (1924) On the Determination of Molecular Fields. II. From the Equation of State of a Gas. Proceedings of the Royal Society of London Series A 106: 463-477.
    • (1924) Proceedings of the Royal Society of London Series A , vol.106 , pp. 463-477
    • Jones, J.E.1
  • 22
    • 24744448000 scopus 로고    scopus 로고
    • Subunit interaction determines IKs participation in cardiac repolarization and repolarization reserve
    • Silva J, Rudy Y, (2005) Subunit interaction determines IKs participation in cardiac repolarization and repolarization reserve. Circulation 112: 1384-1391.
    • (2005) Circulation , vol.112 , pp. 1384-1391
    • Silva, J.1    Rudy, Y.2
  • 25
    • 77953037714 scopus 로고    scopus 로고
    • State-dependent electrostatic interactions of S4 arginines with E1 in S2 during Kv7.1 activation
    • Wu D, Delaloye K, Zaydman MA, Nekouzadeh A, Rudy Y, et al. (2010) State-dependent electrostatic interactions of S4 arginines with E1 in S2 during Kv7.1 activation. J Gen Physiol 135: 595-606.
    • (2010) J Gen Physiol , vol.135 , pp. 595-606
    • Wu, D.1    Delaloye, K.2    Zaydman, M.A.3    Nekouzadeh, A.4    Rudy, Y.5
  • 26
    • 4444343863 scopus 로고    scopus 로고
    • Lipid bilayer topology of the transmembrane alpha-helix of M13 Major coat protein and bilayer polarity profile by site-directed fluorescence spectroscopy
    • Koehorst RB, Spruijt RB, Vergeldt FJ, Hemminga MA, (2004) Lipid bilayer topology of the transmembrane alpha-helix of M13 Major coat protein and bilayer polarity profile by site-directed fluorescence spectroscopy. Biophys J 87: 1445-1455.
    • (2004) Biophys J , vol.87 , pp. 1445-1455
    • Koehorst, R.B.1    Spruijt, R.B.2    Vergeldt, F.J.3    Hemminga, M.A.4
  • 27
    • 0018784262 scopus 로고
    • The dielectric constant of phospholipid bilayers and the permeability of membranes to ions
    • Dilger JP, McLaughlin SG, McIntosh TJ, Simon SA, (1979) The dielectric constant of phospholipid bilayers and the permeability of membranes to ions. Science 206: 1196-1198.
    • (1979) Science , vol.206 , pp. 1196-1198
    • Dilger, J.P.1    McLaughlin, S.G.2    McIntosh, T.J.3    Simon, S.A.4
  • 28
    • 0022779135 scopus 로고
    • Dielectric properties of the polar head group region of zwitterionic lipid bilayers
    • Raudino A, Mauzerall D, (1986) Dielectric properties of the polar head group region of zwitterionic lipid bilayers. Biophys J 50: 441-449.
    • (1986) Biophys J , vol.50 , pp. 441-449
    • Raudino, A.1    Mauzerall, D.2
  • 29
    • 33947683393 scopus 로고    scopus 로고
    • High apparent dielectric constant inside a protein reflects structural reorganization coupled to the ionization of an internal Asp
    • Karp DA, Gittis AG, Stahley MR, Fitch CA, Stites WE, et al. (2007) High apparent dielectric constant inside a protein reflects structural reorganization coupled to the ionization of an internal Asp. Biophys J 92: 2041-2053.
    • (2007) Biophys J , vol.92 , pp. 2041-2053
    • Karp, D.A.1    Gittis, A.G.2    Stahley, M.R.3    Fitch, C.A.4    Stites, W.E.5
  • 30
    • 0024086838 scopus 로고
    • A theoretical study of the dielectric constant of protein
    • Nakamura H, Sakamoto T, Wada A, (1988) A theoretical study of the dielectric constant of protein. Protein Eng 2: 177-183.
    • (1988) Protein Eng , vol.2 , pp. 177-183
    • Nakamura, H.1    Sakamoto, T.2    Wada, A.3
  • 31
    • 0033850087 scopus 로고    scopus 로고
    • High apparent dielectric constants in the interior of a protein reflect water penetration
    • Dwyer JJ, Gittis AG, Karp DA, Lattman EE, Spencer DS, et al. (2000) High apparent dielectric constants in the interior of a protein reflect water penetration. Biophys J 79: 1610-1620.
    • (2000) Biophys J , vol.79 , pp. 1610-1620
    • Dwyer, J.J.1    Gittis, A.G.2    Karp, D.A.3    Lattman, E.E.4    Spencer, D.S.5
  • 32
    • 0242322531 scopus 로고    scopus 로고
    • Electrostatic model of S4 motion in voltage-gated ion channels
    • Lecar H, Larsson HP, Grabe M, (2003) Electrostatic model of S4 motion in voltage-gated ion channels. Biophys J 85: 2854-2864.
    • (2003) Biophys J , vol.85 , pp. 2854-2864
    • Lecar, H.1    Larsson, H.P.2    Grabe, M.3
  • 33
    • 0034043222 scopus 로고    scopus 로고
    • Cross-linking of cell surface receptors enhances cooperativity of molecular adhesion
    • Chen A, Moy VT, (2000) Cross-linking of cell surface receptors enhances cooperativity of molecular adhesion. Biophys J 78: 2814-2820.
    • (2000) Biophys J , vol.78 , pp. 2814-2820
    • Chen, A.1    Moy, V.T.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.