-
1
-
-
2942533807
-
Large scale biomolecular simulations: Current status and future prospects
-
Simon J. Cox, ed. (Nottingham)
-
Arinaminpathy, Y., Biggin, P. C., Bond, P. J., Domene, C., Pang, A. and Sansom, M. S. P., 2003, Large scale biomolecular simulations: current status and future prospects. In Proceedings of the UK e-Science All Hands Meeting 2003. Simon J. Cox, ed. (Nottingham), pp. 901-907.
-
(2003)
Proceedings of the UK e-Science All Hands Meeting 2003
, pp. 901-907
-
-
Arinaminpathy, Y.1
Biggin, P.C.2
Bond, P.J.3
Domene, C.4
Pang, A.5
Sansom, M.S.P.6
-
2
-
-
0035443197
-
Biophysical approaches to membrane protein structure determination
-
Arora, A. and Tamm, L. K., 2001, Biophysical approaches to membrane protein structure determination. Curr. Opin. Struct Biol., 11, 540-547.
-
(2001)
Curr. Opin. Struct. Biol.
, vol.11
, pp. 540-547
-
-
Arora, A.1
Tamm, L.K.2
-
3
-
-
0034695440
-
Refolded outer membrane protein A of Escherichia coli forms ion channels with two conductance states in planar lipid bilayers
-
Arora, A., Rinehart, D., Szabo, G. and Tamm, L. K., 2000, Refolded outer membrane protein A of Escherichia coli forms ion channels with two conductance states in planar lipid bilayers. J. Biol. Chem., 275, 1594-1600.
-
(2000)
J. Biol. Chem.
, vol.275
, pp. 1594-1600
-
-
Arora, A.1
Rinehart, D.2
Szabo, G.3
Tamm, L.K.4
-
4
-
-
0035066331
-
Structure of outer membrane protein A transmembrane domain by NMR spectroscopy
-
Arora, A., Abildgaard, F., Bushweller, J. H. and Tamm, L. K., 2001, Structure of outer membrane protein A transmembrane domain by NMR spectroscopy. Nat. Struct. Biol., 8, 334-338.
-
(2001)
Nat. Struct. Biol.
, vol.8
, pp. 334-338
-
-
Arora, A.1
Abildgaard, F.2
Bushweller, J.H.3
Tamm, L.K.4
-
5
-
-
0037485850
-
A molecular dynamics investigation of mono and dimeric states of the outer membrane enzyme OMPLA
-
Baaden, M., Meier, C. and Sansom, M. S. P., 2003, A molecular dynamics investigation of mono and dimeric states of the outer membrane enzyme OMPLA. J. Mol. Biol., 331, 177-189.
-
(2003)
J. Mol. Biol.
, vol.331
, pp. 177-189
-
-
Baaden, M.1
Meier, C.2
Sansom, M.S.P.3
-
6
-
-
0032563173
-
Voltage gating is a fundamental feature of porin and toxin beta-barrel membrane channels
-
Bainbridge, G., Gokce, I. and Lakey, J. H., 1998, Voltage gating is a fundamental feature of porin and toxin beta-barrel membrane channels. FEBS Lett., 431, 305-308.
-
(1998)
FEBS Lett.
, vol.431
, pp. 305-308
-
-
Bainbridge, G.1
Gokce, I.2
Lakey, J.H.3
-
7
-
-
0030966570
-
Annexins: From structure to function
-
Benz, J. and Hofmann, A., 1997, Annexins: from structure to function. Biol. Chem., 378, 177-183.
-
(1997)
Biol. Chem.
, vol.378
, pp. 177-183
-
-
Benz, J.1
Hofmann, A.2
-
8
-
-
0028269774
-
On the stability and plastic properties of the interior L3 loop in R. capsulatus porin. A molecular dynamics study
-
Björkstén, J., Soares, C. M., Nilsson, O. and Tapia, O., 1994, On the stability and plastic properties of the interior L3 loop in R. capsulatus porin. A molecular dynamics study. Prot. Eng., 7, 487-493.
-
(1994)
Prot. Eng.
, vol.7
, pp. 487-493
-
-
Björkstén, J.1
Soares, C.M.2
Nilsson, O.3
Tapia, O.4
-
9
-
-
0038724257
-
Membrane protein dynamics vs. environment: Simulations of OmpA in a micelle and in a bilayer
-
Bond, P. and Sansom, M. S. P., 2003, Membrane protein dynamics vs. environment: simulations of OmpA in a micelle and in a bilayer. J. Mol. Biol., 329, 1035-1053.
-
(2003)
J. Mol. Biol.
, vol.329
, pp. 1035-1053
-
-
Bond, P.1
Sansom, M.S.P.2
-
10
-
-
0035996998
-
OmpAA pore or not a pore? Simulation and modelling studies
-
Bond, P., Faraldo-Goméz, J. and Sansom, M. S. P., 2002, OmpAA pore or not a pore? Simulation and modelling studies. Biophys. J., 83, 763-775.
-
(2002)
Biophys. J.
, vol.83
, pp. 763-775
-
-
Bond, P.1
Faraldo-Goméz, J.2
Sansom, M.S.P.3
-
11
-
-
0032900438
-
Crystal structure of the outer membrane active transporter FepA from Escherichia coli
-
Buchanan, S. K., Smith, B. S., Venkatramani, L., Xia, D., Essar, L., Palnitkar, M., Chakraborty, R., van der helm, D. and Deisenhofer, J., 1999, Crystal structure of the outer membrane active transporter FepA from Escherichia coli. Nat. Struct. Biol., 6, 56-63.
-
(1999)
Nat. Struct. Biol.
, vol.6
, pp. 56-63
-
-
Buchanan, S.K.1
Smith, B.S.2
Venkatramani, L.3
Xia, D.4
Essar, L.5
Palnitkar, M.6
Chakraborty, R.7
Van Der Helm, D.8
Deisenhofer, J.9
-
12
-
-
0242670022
-
Substrate-induced transmembrane signaling in the cobalamin transporter BtuB
-
Chimento, D. P., Mohanty, A. K., Kadner, R. J. and Wiener, M. C., 2003, Substrate-induced transmembrane signaling in the cobalamin transporter BtuB. Nat. Struct. Biol., 10, 394-401.
-
(2003)
Nat. Struct. Biol.
, vol.10
, pp. 394-401
-
-
Chimento, D.P.1
Mohanty, A.K.2
Kadner, R.J.3
Wiener, M.C.4
-
13
-
-
0037470691
-
Ab initio folding simulation of the trp-cage mini-protein approaches NMR resolution
-
Chowdhury, S., Lee, M. C., Xiong, G. and Duan, Y., 2003, Ab initio folding simulation of the trp-cage mini-protein approaches NMR resolution. J. Mol. Biol., 327, 711-717.
-
(2003)
J. Mol. Biol.
, vol.327
, pp. 711-717
-
-
Chowdhury, S.1
Lee, M.C.2
Xiong, G.3
Duan, Y.4
-
14
-
-
0036656435
-
Ion channels: Recent progress and prospects
-
Chung, S. H. and Kuyucak, S., 2002, Ion channels: recent progress and prospects. Eur. Biophys. J., 31, 283-293.
-
(2002)
Eur. Biophys. J.
, vol.31
, pp. 283-293
-
-
Chung, S.H.1
Kuyucak, S.2
-
15
-
-
0041663886
-
Molecular origin of the cation selectivity in OmpF porin: Single channel conductances vs. free energy calculation
-
Danelon, C., Suenaga, A., Winterhalter, M. and Yamato, I., 2003, Molecular origin of the cation selectivity in OmpF porin: single channel conductances vs. free energy calculation. Biophys. Chem., 104, 591-603.
-
(2003)
Biophys. Chem.
, vol.104
, pp. 591-603
-
-
Danelon, C.1
Suenaga, A.2
Winterhalter, M.3
Yamato, I.4
-
16
-
-
4243463817
-
Electrostatics in biomolecular structure and dynamics
-
Davis, M. E. and McCammon, J. A., 1990, Electrostatics in biomolecular structure and dynamics. Chem. Rev., 90, 509-521.
-
(1990)
Chem. Rev.
, vol.90
, pp. 509-521
-
-
Davis, M.E.1
McCammon, J.A.2
-
17
-
-
0242696086
-
Membrane protein simulation: Ion channels and bacterial outer membrane proteins
-
Domene, C., Bond, P. and Sansom, M. S. P., 2003a, Membrane protein simulation: ion channels and bacterial outer membrane proteins. Adv. Prot. Chem., 66, 159-193.
-
(2003)
Adv. Prot. Chem.
, vol.66
, pp. 159-193
-
-
Domene, C.1
Bond, P.2
Sansom, M.S.P.3
-
18
-
-
0344236133
-
Lipid-protein interactions and the membrane/water interfacial region
-
Domene, C., Bond, P. J., Deol, S. S. and Sansom, M. S. P., 2003b, Lipid-protein interactions and the membrane/water interfacial region. J. Amer. Chem. Soc., 125, 14966-14967.
-
(2003)
J. Amer. Chem. Soc.
, vol.125
, pp. 14966-14967
-
-
Domene, C.1
Bond, P.J.2
Deol, S.S.3
Sansom, M.S.P.4
-
19
-
-
0033560795
-
Crystal structure and functional characterization of OmpK36, the osmoporin of Klebsiella pneumoniae
-
Dutzler, R., Rummel, G., Alberti, S., Hernández-Allés, S., Phale, P. S., Rosenbusch, J. P., Benedi, V. J. and Schirmer, T., 1999, Crystal structure and functional characterization of OmpK36, the osmoporin of Klebsiella pneumoniae. Structure, 7, 425-434.
-
(1999)
Structure
, vol.7
, pp. 425-434
-
-
Dutzler, R.1
Rummel, G.2
Alberti, S.3
Hernández-Allés, S.4
Phale, P.S.5
Rosenbusch, J.P.6
Benedi, V.J.7
Schirmer, T.8
-
20
-
-
0036710071
-
Translocation mechanism of long sugar chains across the maltoporin membrane channel
-
Dutzler, R., Schirmer, T., Karplus, M. and Fischer, S., 2002, Translocation mechanism of long sugar chains across the maltoporin membrane channel. Structure, 10, 1273-1284.
-
(2002)
Structure
, vol.10
, pp. 1273-1284
-
-
Dutzler, R.1
Schirmer, T.2
Karplus, M.3
Fischer, S.4
-
21
-
-
0037418859
-
Gating the selectivity filter in ClC chloride channels
-
Dutzler, R., Campbell, E. B. and MacKinnon, R., 2003, Gating the selectivity filter in ClC chloride channels. Science, 300, 108-112.
-
(2003)
Science
, vol.300
, pp. 108-112
-
-
Dutzler, R.1
Campbell, E.B.2
MacKinnon, R.3
-
22
-
-
0037317173
-
Acquisition of siderophores in gram-negative bacteria
-
Faraldo-Gómez, J. D. and Sansom, M. S. P., 2003, Acquisition of siderophores in gram-negative bacteria. Nat. Rev. Mol. Cell. Biol., 4, 105-115.
-
(2003)
Nat. Rev. Mol. Cell. Biol.
, vol.4
, pp. 105-115
-
-
Faraldo-Gómez, J.D.1
Sansom, M.S.P.2
-
23
-
-
0036618993
-
Setup and optimisation of membrane protein simulations
-
Faraldo-Gȯmez, J., Smith, G. R. and Sansom, M. S. P., 2002, Setup and optimisation of membrane protein simulations. Eur. Biophys. J., 31, 217-227.
-
(2002)
Eur. Biophys. J.
, vol.31
, pp. 217-227
-
-
Faraldo-Gomez, J.1
Smith, G.R.2
Sansom, M.S.P.3
-
24
-
-
0037671392
-
Molecular dynamics simulations of the bacterial outer membrane protein FhuA: A comparative study of the ferrichrome-free and bound states
-
Faraldo-Gȯmez, J., Smith, G. R. and Sansom, M. S. P., 2003, Molecular dynamics simulations of the bacterial outer membrane protein FhuA: a comparative study of the ferrichrome-free and bound states. Biophys. J., 85, 1-15.
-
(2003)
Biophys. J.
, vol.85
, pp. 1-15
-
-
Faraldo-Gomez, J.1
Smith, G.R.2
Sansom, M.S.P.3
-
25
-
-
0032545324
-
Siderophore-mediated iron transport: Crystal structure of FhuA with bound lipopolysaccharide
-
Ferguson, A. D., Hofmann, E., Coulton, J. W., Diederichs, K. and Welte, W., 1998, Siderophore-mediated iron transport: crystal structure of FhuA with bound lipopolysaccharide. Science, 282, 2215-2220.
-
(1998)
Science
, vol.282
, pp. 2215-2220
-
-
Ferguson, A.D.1
Hofmann, E.2
Coulton, J.W.3
Diederichs, K.4
Welte, W.5
-
26
-
-
0034660537
-
A conserved structural motif for lipopolysaccharide recognition by procaryotic and eucaryotic proteins
-
Ferguson, A. D., Welte, W., Hofmann, E., Lindner, B., Holst, O., Coulton, J. W. and Diederichs, K., 2000, A conserved structural motif for lipopolysaccharide recognition by procaryotic and eucaryotic proteins. Struct. Fold. Des., 8, 585-592.
-
(2000)
Struct. Fold. Des.
, vol.8
, pp. 585-592
-
-
Ferguson, A.D.1
Welte, W.2
Hofmann, E.3
Lindner, B.4
Holst, O.5
Coulton, J.W.6
Diederichs, K.7
-
27
-
-
0036500658
-
Structural basis of gating by the outer membrane transporter FecA
-
Ferguson, A. D., Chakraborty, R., Smith, B. S., Esser, L., van der Helm, D. and Deisenhofer, J., 2002, Structural basis of gating by the outer membrane transporter FecA. Science, 295, 1715-1719.
-
(2002)
Science
, vol.295
, pp. 1715-1719
-
-
Ferguson, A.D.1
Chakraborty, R.2
Smith, B.S.3
Esser, L.4
Van Der Helm, D.5
Deisenhofer, J.6
-
28
-
-
0242488921
-
NMR solution structure determination of membrane proteins reconstituted in detergent micelles
-
Fernȧndez, C. and Wüthrich, K., 2003, NMR solution structure determination of membrane proteins reconstituted in detergent micelles. FEBS Lett., 555, 144-150.
-
(2003)
FEBS Lett.
, vol.555
, pp. 144-150
-
-
Fernandez, C.1
Wüthrich, K.2
-
29
-
-
0034112811
-
Membrane simulations: Bigger and better?
-
Forrest, L. R. and Sansom, M. S. P., 2000, Membrane simulations: bigger and better? Curr. Opin. Struct. Biol., 10, 174-181.
-
(2000)
Curr. Opin. Struct. Biol.
, vol.10
, pp. 174-181
-
-
Forrest, L.R.1
Sansom, M.S.P.2
-
30
-
-
0035252652
-
Probing the interface between membrane proteins and membrane lipids by X-ray crystallography
-
Fyfe, P. K., McAuley, K. E., Roszak, A. W., Isaacs, N. W., Codgell, R. J. and Jones, M. R., 2001, Probing the interface between membrane proteins and membrane lipids by X-ray crystallography. Trends Biochem. Sci., 26, 106-112.
-
(2001)
Trends Biochem. Sci.
, vol.26
, pp. 106-112
-
-
Fyfe, P.K.1
McAuley, K.E.2
Roszak, A.W.3
Isaacs, N.W.4
Codgell, R.J.5
Jones, M.R.6
-
31
-
-
0035312821
-
Polarizable force fields
-
Halgren, T. A. and Damm, W., 2001, Polarizable force fields. Curr. Opin. Struct. Biol., 11, 236-242.
-
(2001)
Curr. Opin. Struct. Biol.
, vol.11
, pp. 236-242
-
-
Halgren, T.A.1
Damm, W.2
-
32
-
-
0029878720
-
VMD - Visual Molecular Dynamics
-
Humphrey, W., Dalke, A. and Schulten, K., 1996, VMD - Visual Molecular Dynamics. J. Molec. Graph., 14, 33-38.
-
(1996)
J. Molec. Graph.
, vol.14
, pp. 33-38
-
-
Humphrey, W.1
Dalke, A.2
Schulten, K.3
-
33
-
-
0035828343
-
Brownian dynamics simulations of ion channels: A general treatment of electrostatic reaction fields for molecular pores of arbitrary geometry
-
Im, W. and Roux, B., 2001, Brownian dynamics simulations of ion channels: a general treatment of electrostatic reaction fields for molecular pores of arbitrary geometry. J. Chem. Phys., 115, 4850-4861.
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 4850-4861
-
-
Im, W.1
Roux, B.2
-
34
-
-
0036389892
-
Ion permeation and selectivity of OmpF porin: A theoretical study based on molecular dynamics, Brownian dynamics, and continuum electrodiffusion theory
-
Im, W. and Roux, B., 2002a, Ion permeation and selectivity of OmpF porin: a theoretical study based on molecular dynamics, Brownian dynamics, and continuum electrodiffusion theory. J. Mol. Biol., 322, 851-869.
-
(2002)
J. Mol. Biol.
, vol.322
, pp. 851-869
-
-
Im, W.1
Roux, B.2
-
35
-
-
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. and Roux, B., 2002b, 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., 319, 1177-1197.
-
(2002)
J. Mol. Biol.
, vol.319
, pp. 1177-1197
-
-
Im, W.1
Roux, B.2
-
36
-
-
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. and Roux, B., 2002c, 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., 319, 1177-1197.
-
(2002)
J. Mol. Biol.
, vol.319
, pp. 1177-1197
-
-
Im, W.1
Roux, B.2
-
37
-
-
0033884302
-
Grand canonical Monte Carlo-Brownian dynamics algorithm for simulating ion channels
-
Im, W., Seefeld, S. and Roux, B., 2000, Grand canonical Monte Carlo-Brownian dynamics algorithm for simulating ion channels. Biophys. J., 79, 788-801.
-
(2000)
Biophys. J.
, vol.79
, pp. 788-801
-
-
Im, W.1
Seefeld, S.2
Roux, B.3
-
38
-
-
0036725277
-
Molecular dynamics simulations of biomolecules
-
Karplus, M. and McCammon, J. A., 2002a, Molecular dynamics simulations of biomolecules. Nat. Struct. Biol., 9, 646-652.
-
(2002)
Nat. Struct. Biol.
, vol.9
, pp. 646-652
-
-
Karplus, M.1
McCammon, J.A.2
-
39
-
-
0036725277
-
Molecular dynamics simulations of biomolecules
-
Karplus, M. J. and McCammon, J. A., 2002b, Molecular dynamics simulations of biomolecules. Nat. Struct. Biol., 9, 646-652.
-
(2002)
Nat. Struct. Biol.
, vol.9
, pp. 646-652
-
-
Karplus, M.J.1
McCammon, J.A.2
-
40
-
-
0028000828
-
Electrostatic properties of two porin channels from Escherichia coli
-
Karshikoff, A., Spassov, V., Cowan, S. W., Ladenstein, R. and Schirmer, T., 1994, Electrostatic properties of two porin channels from Escherichia coli. J. Mol. Biol., 240, 372-384.
-
(1994)
J. Mol. Biol.
, vol.240
, pp. 372-384
-
-
Karshikoff, A.1
Spassov, V.2
Cowan, S.W.3
Ladenstein, R.4
Schirmer, T.5
-
41
-
-
0034284386
-
How proteins adapt to a membrane-water interface
-
Killian, J. A. and von Heijne, G., 2000, How proteins adapt to a membrane-water interface. Trends Biochem. Sci., 25, 429-434.
-
(2000)
Trends Biochem. Sci.
, vol.25
, pp. 429-434
-
-
Killian, J.A.1
Von Heijne, G.2
-
42
-
-
0033942874
-
Structure and function of bacterial outer membrane proteins: Barrels in a nutshell
-
Koebnik, R., Locher, K. P. and Van Gelder, P., 2000, Structure and function of bacterial outer membrane proteins: barrels in a nutshell. Mol. Microbiol., 37, 239-253.
-
(2000)
Mol. Microbiol.
, vol.37
, pp. 239-253
-
-
Koebnik, R.1
Locher, K.P.2
Van Gelder, P.3
-
43
-
-
0034702177
-
Crystal structure of the bacterial membrane protein TolC central to multidrug efflux and protein export
-
Koronakis, V., Sharff, A., Koronakis, E., Luisi, B. and Hughes, C., 2000, Crystal structure of the bacterial membrane protein TolC central to multidrug efflux and protein export. Nature, 405, 914-919.
-
(2000)
Nature
, vol.405
, pp. 914-919
-
-
Koronakis, V.1
Sharff, A.2
Koronakis, E.3
Luisi, B.4
Hughes, C.5
-
44
-
-
0038364008
-
Lipid-protein interactions in biological membranes: A structural perspective
-
Lee, A. G., 2003, Lipid-protein interactions in biological membranes: a structural perspective. Biochim. Biophys. Acta, 1612, 1-40.
-
(2003)
Biochim. Biophys. Acta
, vol.1612
, pp. 1-40
-
-
Lee, A.G.1
-
45
-
-
0034907678
-
Computer simulation of the rough lipopolysaccharide membrane of Pseudomonas aeruginosa
-
Lins, R. D. and Straatsma, T. P., 2001, Computer simulation of the rough lipopolysaccharide membrane of Pseudomonas aeruginosa. Biophys. J., 81, 1037-1046.
-
(2001)
Biophys. J.
, vol.81
, pp. 1037-1046
-
-
Lins, R.D.1
Straatsma, T.P.2
-
46
-
-
0032414254
-
Transmembrane signalling across the ligand-gated FhuA receptor; crystal structures of free and ferrichrome-bound states reveal allosteric changes
-
Locher, K. P., Rees, B., Koebnik, R., Mitschler, A., Moulinier, L., Rosenbusch, J. and Moras, D., 1998, Transmembrane signalling across the ligand-gated FhuA receptor; crystal structures of free and ferrichrome-bound states reveal allosteric changes. Cell, 95, 771-778.
-
(1998)
Cell
, vol.95
, pp. 771-778
-
-
Locher, K.P.1
Rees, B.2
Koebnik, R.3
Mitschler, A.4
Moulinier, L.5
Rosenbusch, J.6
Moras, D.7
-
48
-
-
0041462889
-
Proteomic analysis of the Escherichia coli outer membrane
-
Molloy, M. P., Herbert, B. R., Slade, M. B., Rabilloud, T., Nouwens, A. S., Williams, K. L. and Gooley, A. A., 2000, Proteomic analysis of the Escherichia coli outer membrane. Eur. J. Biochem., 267, 2871-2881.
-
(2000)
Eur. J. Biochem.
, vol.267
, pp. 2871-2881
-
-
Molloy, M.P.1
Herbert, B.R.2
Slade, M.B.3
Rabilloud, T.4
Nouwens, A.S.5
Williams, K.L.6
Gooley, A.A.7
-
49
-
-
0026319199
-
Protein folding and association: Insights from the interfacial thermodynamic properties of hydrocarbons
-
Nicholls, A., Sharp, K. A. and Honig, B., 1991, Protein folding and association: insights from the interfacial thermodynamic properties of hydrocarbons. Proteins: Struct. Func. Genet., 11, 281-296.
-
(1991)
Proteins: Struct. Func. Genet.
, vol.11
, pp. 281-296
-
-
Nicholls, A.1
Sharp, K.A.2
Honig, B.3
-
50
-
-
0347479229
-
Molecular basis of bacterial outer membrane permeability revisited
-
Nikaido, H., 2003, Molecular basis of bacterial outer membrane permeability revisited. Microbiol. Molec. Biol. Rev., 67, 593-656.
-
(2003)
Microbiol. Molec. Biol. Rev.
, vol.67
, pp. 593-656
-
-
Nikaido, H.1
-
51
-
-
0031733336
-
Structure of the outer membrane protein A transmembrane domain
-
Pautsch, A. and Schulz, G. E., 1998, Structure of the outer membrane protein A transmembrane domain. Nat. Struct. Biol., 5, 1013-1017.
-
(1998)
Nat. Struct. Biol.
, vol.5
, pp. 1013-1017
-
-
Pautsch, A.1
Schulz, G.E.2
-
52
-
-
0034724567
-
High-resolution structure of the OmpA membrane domain
-
Pautsch, A. and Schulz, G. E., 2000, High-resolution structure of the OmpA membrane domain. J. Mol. Biol., 298, 273-282.
-
(2000)
J. Mol. Biol.
, vol.298
, pp. 273-282
-
-
Pautsch, A.1
Schulz, G.E.2
-
53
-
-
0031001514
-
Voltage gating of Escherichia coli porin channels: Role of the constriction loop
-
Phale, P. S., Schirmer, T., Prilipov, A., Lou, J.-L., Hardmeyer, A. and Rosenbusch, J. P., 1997, Voltage gating of Escherichia coli porin channels: role of the constriction loop. Proc. Natl Acad. Sci. USA, 94, 6741-6745.
-
(1997)
Proc. Natl. Acad. Sci. USA
, vol.94
, pp. 6741-6745
-
-
Phale, P.S.1
Schirmer, T.2
Prilipov, A.3
Lou, J.-L.4
Hardmeyer, A.5
Rosenbusch, J.P.6
-
54
-
-
0035967529
-
Role of charged residues at the OmpF porin channel constriction probed by mutagenesis and simulation
-
Phale, P. S., Philippsen, A., Widmer, C., Phale, V. P., Rosenbusch, J. P. and Schirmer, T., 2001, Role of charged residues at the OmpF porin channel constriction probed by mutagenesis and simulation. Biochemistry, 40, 6319-6325.
-
(2001)
Biochemistry
, vol.40
, pp. 6319-6325
-
-
Phale, P.S.1
Philippsen, A.2
Widmer, C.3
Phale, V.P.4
Rosenbusch, J.P.5
Schirmer, T.6
-
55
-
-
0037133637
-
Crystal structure of the OpcA integral membrane adhesin from Neisseria meningitidis
-
Prince, S. M., Achtman, M. and Derrick, J. P., 2002, Crystal structure of the OpcA integral membrane adhesin from Neisseria meningitidis. Proc. Natl Acad. Sci. USA, 99, 3417-3421.
-
(2002)
Proc. Natl. Acad. Sci. USA
, vol.99
, pp. 3417-3421
-
-
Prince, S.M.1
Achtman, M.2
Derrick, J.P.3
-
56
-
-
0037174185
-
Orientation and interactions of dipolar molecules during transport through OmpF porin
-
Robertson, K. M. and Tieleman, D. P., 2002, Orientation and interactions of dipolar molecules during transport through OmpF porin. FEBS Lett., 528, 53-57.
-
(2002)
FEBS Lett.
, vol.528
, pp. 53-57
-
-
Robertson, K.M.1
Tieleman, D.P.2
-
57
-
-
0039179572
-
Ion channels, permeation and electrostatics: Insight into the function of KcsA
-
Roux, B., Bernèche, S. and 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
-
58
-
-
0031857538
-
General and specific porins from bacterial outer membranes
-
Schirmer, T., 1998, General and specific porins from bacterial outer membranes. J. Struct. Biol., 121, 101-109.
-
(1998)
J. Struct. Biol.
, vol.121
, pp. 101-109
-
-
Schirmer, T.1
-
59
-
-
0033579482
-
Brownian dynamics simulation of ion flow through porin channels
-
Schirmer, T. and Phale, P. S., 1999, Brownian dynamics simulation of ion flow through porin channels. J. Mol. Biol., 294, 1159-1167.
-
(1999)
J. Mol. Biol.
, vol.294
, pp. 1159-1167
-
-
Schirmer, T.1
Phale, P.S.2
-
60
-
-
0037114710
-
Molecular structure of the outer bacterial membrane of Pseudomonas aeruginosa via classical simulation
-
Schroll, R. M. and Straatsma, T. P., 2002, Molecular structure of the outer bacterial membrane of Pseudomonas aeruginosa via classical simulation. Biopolymers, 65, 395-407.
-
(2002)
Biopolymers
, vol.65
, pp. 395-407
-
-
Schroll, R.M.1
Straatsma, T.P.2
-
61
-
-
0033932639
-
β-barrel membrane proteins
-
Schulz, G. E., 2000, β-Barrel membrane proteins. Curr. Opin. Struct. Biol., 10, 443-447.
-
(2000)
Curr. Opin. Struct. Biol.
, vol.10
, pp. 443-447
-
-
Schulz, G.E.1
-
62
-
-
0036717710
-
Surface loop motion in FepA
-
Scott, D. C., Newton, S. M. C. and Klebba, P. E., 2002, Surface loop motion in FepA. J. Bacteriol., 184, 4906-4911.
-
(2002)
J. Bacteriol.
, vol.184
, pp. 4906-4911
-
-
Scott, D.C.1
Newton, S.M.C.2
Klebba, P.E.3
-
63
-
-
0037174385
-
All-atom structure prediction and folding simulations of a stable protein
-
Simmerling, C., Strockbine, B. and Roitberg, A. E., 2002, All-atom structure prediction and folding simulations of a stable protein. J. Am. Chem. Soc., 124, 11258-11259.
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 11258-11259
-
-
Simmerling, C.1
Strockbine, B.2
Roitberg, A.E.3
-
64
-
-
0030404988
-
Hole: A program for the analysis of the pore dimensions of ion channel structural models
-
Smart, O. S., Neduvelil, J. G., Wang, X., Wallace, B. A. and Sansom, M. S. P., 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
-
65
-
-
0034739438
-
Bacterial phospholipase A: Structure and function of an integral membrane phospholipase
-
Snijder, H. J. and Dijkstra, B. W., 2000, Bacterial phospholipase A: structure and function of an integral membrane phospholipase. Biochim. Biophys. Acta, 1488, 91-101.
-
(2000)
Biochim. Biophys. Acta
, vol.1488
, pp. 91-101
-
-
Snijder, H.J.1
Dijkstra, B.W.2
-
66
-
-
0033554727
-
Structural evidence for dimerization-regulated activation of an integral membrane phospholipase
-
Snijder, H. J., Ubarretxena-Belandia, I., Blaauw, M., Kalk, K. H., Verheij, H. M., Egmond, M. R., Dekker, N. and Dijkstra, B. W., 1999, Structural evidence for dimerization-regulated activation of an integral membrane phospholipase. Nature, 401, 717-721.
-
(1999)
Nature
, vol.401
, pp. 717-721
-
-
Snijder, H.J.1
Ubarretxena-Belandia, I.2
Blaauw, M.3
Kalk, K.H.4
Verheij, H.M.5
Egmond, M.R.6
Dekker, N.7
Dijkstra, B.W.8
-
67
-
-
0035367725
-
Structural investigations of calcium binding and its role in activity and activation of outer membrane phospholipase A from Escherichia coli
-
Snijder, H. J., Kingma, R. L., Kalk, K. H., Dekker, N., Egmond, M. R. and Dijkstra, B. W., 2001, Structural investigations of calcium binding and its role in activity and activation of outer membrane phospholipase A from Escherichia coli. J. Mol. Biol., 309, 477-489.
-
(2001)
J. Mol. Biol.
, vol.309
, pp. 477-489
-
-
Snijder, H.J.1
Kingma, R.L.2
Kalk, K.H.3
Dekker, N.4
Egmond, M.R.5
Dijkstra, B.W.6
-
68
-
-
0028939947
-
L3 loop-mediated mechanisms of pore closing in porin: A molecular dynamics perturbation approach
-
Soares, C. M., Björkstén, J. and Tapia, O., 1995, L3 loop-mediated mechanisms of pore closing in porin: a molecular dynamics perturbation approach. Prot. Eng., 8, 5-12.
-
(1995)
Prot. Eng.
, vol.8
, pp. 5-12
-
-
Soares, C.M.1
Björkstén, J.2
Tapia, O.3
-
69
-
-
0002534287
-
Compuation observation of an ion permeation through a channel protein
-
Suenaga, A., Komeiji, Y., Uebayasi, M., Meguro, T., Saito, M. and Yamato, I., 1998, Compuation observation of an ion permeation through a channel protein. Biosci. Reports, 18, 39-48.
-
(1998)
Biosci. Reports
, vol.18
, pp. 39-48
-
-
Suenaga, A.1
Komeiji, Y.2
Uebayasi, M.3
Meguro, T.4
Saito, M.5
Yamato, I.6
-
70
-
-
0242657339
-
Structure, dynamics and function of the outer membrane protein A (OmpA) and influenza hemagglutinin fusion domain in detergent micelles by solution NMR
-
Tamm, L. K., Abildgaard, F., Arora, A., Blad, H. and Bushweller, J. H., 2003, Structure, dynamics and function of the outer membrane protein A (OmpA) and influenza hemagglutinin fusion domain in detergent micelles by solution NMR. FEBS Lett., 555, 139-143.
-
(2003)
FEBS Lett.
, vol.555
, pp. 139-143
-
-
Tamm, L.K.1
Abildgaard, F.2
Arora, A.3
Blad, H.4
Bushweller, J.H.5
-
71
-
-
0031860932
-
A molecular dynamics study of the pores formed by Escherichia coli OmpF porin in a fully hydrated palmitoyloleoylphosphatidylcholine bilayer
-
Tieleman, D. P. and Berendsen, H. J. C., 1998, A molecular dynamics study of the pores formed by Escherichia coli OmpF porin in a fully hydrated palmitoyloleoylphosphatidylcholine bilayer. Biophys. J., 74, 2786-2801.
-
(1998)
Biophys. J.
, vol.74
, pp. 2786-2801
-
-
Tieleman, D.P.1
Berendsen, H.J.C.2
-
72
-
-
0031438285
-
A computer perspective of membranes: Molecular dynamics studies of lipid bilayer systems
-
Tieleman, D. P., Marrink, S. J. and Berendsen, H. J. C., 1997, A computer perspective of membranes: molecular dynamics studies of lipid bilayer systems. Biochim. Biophys. Acta, 1331, 235-270.
-
(1997)
Biochim. Biophys. Acta
, vol.1331
, pp. 235-270
-
-
Tieleman, D.P.1
Marrink, S.J.2
Berendsen, H.J.C.3
-
73
-
-
0032534843
-
Lipid properties and the orientation of aromatic residues in OmpF, influenza M2 and alamethicin systems: Molecular dynamics simulations
-
Tieleman, D. P., Forrest, L. R., Berendsen, H. J. C. and Sansom, M. S. P., 1999, Lipid properties and the orientation of aromatic residues in OmpF, influenza M2 and alamethicin systems: molecular dynamics simulations. Biochem., 37, 17554-17561.
-
(1999)
Biochem.
, vol.37
, pp. 17554-17561
-
-
Tieleman, D.P.1
Forrest, L.R.2
Berendsen, H.J.C.3
Sansom, M.S.P.4
-
74
-
-
0002883739
-
Atomic-scale molecular dynamics simulations of lipid membranes
-
Tobias, D. J., Tu, K. C. and Klein, M. L., 1997, Atomic-scale molecular dynamics simulations of lipid membranes. Curr. Opin. Coll. Interface Sci., 2, 15-26.
-
(1997)
Curr. Opin. Coll. Interface Sci.
, vol.2
, pp. 15-26
-
-
Tobias, D.J.1
Tu, K.C.2
Klein, M.L.3
-
75
-
-
0035903650
-
Crystal structure of the outer membrane protease OmpT from Escherichia coli suggests a novel catalytic site
-
Vandeputte-Rutten, L., Kramer, R. A., Kroon, J., Dekker, N., Egmond, M. R. and Gros, P., 2001a, Crystal structure of the outer membrane protease OmpT from Escherichia coli suggests a novel catalytic site. EMBO J., 20, 5033-5039.
-
(2001)
EMBO J.
, vol.20
, pp. 5033-5039
-
-
Vandeputte-Rutten, L.1
Kramer, R.A.2
Kroon, J.3
Dekker, N.4
Egmond, M.R.5
Gros, P.6
-
76
-
-
0035903650
-
Crystal structure of the outer membrane protease OmpT from Escherichia coli suggests a novel catalytic site
-
Vandeputte-Rutten, L., Kramer, R. A., Kroon, J., Dekker, N., Egmond, M. R. and Gros, P., 2001b, Crystal structure of the outer membrane protease OmpT from Escherichia coli suggests a novel catalytic site. EMBO J., 20, 5033-5039.
-
(2001)
EMBO J.
, vol.20
, pp. 5033-5039
-
-
Vandeputte-Rutten, L.1
Kramer, R.A.2
Kroon, J.3
Dekker, N.4
Egmond, M.R.5
Gros, P.6
-
77
-
-
0030895157
-
Computer simulations of the OmpF porin from the outer membrane of Escherichia coli
-
Watanabe, M., Rosenbusch, J., Schirmer, T. and Karplus, M., 1997, Computer simulations of the OmpF porin from the outer membrane of Escherichia coli. Biophys. J., 72, 2094-2102.
-
(1997)
Biophys. J.
, vol.72
, pp. 2094-2102
-
-
Watanabe, M.1
Rosenbusch, J.2
Schirmer, T.3
Karplus, M.4
-
78
-
-
0026331041
-
Molecular architecture and electrostatic properties of a bacterial porin
-
Weiss, M. S., Abele, U., Weckesser, J., Welte, W., Schiltz, E. and Schulz, G. E., 1991, Molecular architecture and electrostatic properties of a bacterial porin. Science, 254, 1627-1630.
-
(1991)
Science
, vol.254
, pp. 1627-1630
-
-
Weiss, M.S.1
Abele, U.2
Weckesser, J.3
Welte, W.4
Schiltz, E.5
Schulz, G.E.6
-
79
-
-
0041428149
-
The versatile β-barrel membrane protein
-
Wimley, W. C., 2003, The versatile β-barrel membrane protein. Curr. Opin. Struct. Biol. 13, 404-411.
-
(2003)
Curr. Opin. Struct. Biol.
, vol.13
, pp. 404-411
-
-
Wimley, W.C.1
-
80
-
-
0032552880
-
The preference of tryptophan for membrane interfaces
-
Yau, W. M., Wimley, W. C., Gawrisch, K. and White, S. H., 1998, The preference of tryptophan for membrane interfaces, Biochem., 37, 14713-14718,
-
(1998)
Biochem.
, vol.37
, pp. 14713-14718
-
-
Yau, W.M.1
Wimley, W.C.2
Gawrisch, K.3
White, S.H.4
-
81
-
-
0036105803
-
Electrostatic properties of the anion selective porin Omp32 from Delftia acidovorans and of the arginine cluster of bacterial porins
-
Zachariae, U., Koumanov, A., Engelhardt, H. and Karshikoff, A., 2002, Electrostatic properties of the anion selective porin Omp32 from Delftia acidovorans and of the arginine cluster of bacterial porins. Prot. Sci., 11, 1309-1319.
-
(2002)
Prot. Sci.
, vol.11
, pp. 1309-1319
-
-
Zachariae, U.1
Koumanov, A.2
Engelhardt, H.3
Karshikoff, A.4
-
82
-
-
0041343084
-
Multistep mechanism of chloride translocation in a strongly anion-selective porin channel
-
Zachariae, U., Helms, V. and Engelhardt, H., 2003, Multistep mechanism of chloride translocation in a strongly anion-selective porin channel. Biophys. J., 85, 954-962.
-
(2003)
Biophys. J.
, vol.85
, pp. 954-962
-
-
Zachariae, U.1
Helms, V.2
Engelhardt, H.3
|