-
1
-
-
73449119314
-
Voltage-gated potassium channels as therapeutic targets
-
H. Wulff, N.A. Castle, and L.A. Pardo Voltage-gated potassium channels as therapeutic targets Nat. Rev. Drug Discov. 8 2009 982 1001
-
(2009)
Nat. Rev. Drug Discov.
, vol.8
, pp. 982-1001
-
-
Wulff, H.1
Castle, N.A.2
Pardo, L.A.3
-
3
-
-
3142652094
-
Theoretical and computational models of biological ion channels
-
DOI 10.1017/S0033583504003968
-
B. Roux, and T. Allen W. Im Theoretical and computational models of biological ion channels Q. Rev. Biophys. 37 2004 15 103 (Pubitemid 38902193)
-
(2004)
Quarterly Reviews of Biophysics
, vol.37
, Issue.1
, pp. 15-103
-
-
Roux, B.1
Allen, T.2
Berneche, S.3
Im, W.4
-
4
-
-
58149162833
-
The membrane potential and its representation by a constant electric field in computer simulations
-
B. Roux The membrane potential and its representation by a constant electric field in computer simulations Biophys. J. 95 2008 4205 4216
-
(2008)
Biophys. J.
, vol.95
, pp. 4205-4216
-
-
Roux, B.1
-
7
-
-
11144342719
-
Atomistic simulations of biologically realistic transmembrane potential gradients
-
DOI 10.1063/1.1826056, 5
-
J.N. Sachs, P.S. Crozier, and T.B. Woolf Atomistic simulations of biologically realistic transmembrane potential gradients J. Chem. Phys. 121 2004 10847 10851 (Pubitemid 40020625)
-
(2004)
Journal of Chemical Physics
, vol.121
, Issue.22
, pp. 10847-10851
-
-
Sachs, J.N.1
Crozier, P.S.2
Woolf, T.B.3
-
8
-
-
50349085059
-
Kinetics, statistics, and energetics of lipid membrane electroporation studied by molecular dynamics simulations
-
R.A. Böckmann, and B.L. de Groot H. Grubmüller Kinetics, statistics, and energetics of lipid membrane electroporation studied by molecular dynamics simulations Biophys. J. 95 2008 1837 1850
-
(2008)
Biophys. J.
, vol.95
, pp. 1837-1850
-
-
Böckmann, R.A.1
De Groot, B.L.2
Grubmüller, H.3
-
9
-
-
1842682281
-
Electric field-controlled water permeation coupled to ion transport through a nanopore
-
J. Dzubiella, R.J. Allen, and J.P. Hansen Electric field-controlled water permeation coupled to ion transport through a nanopore J. Chem. Phys. 120 2004 5001 5004
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 5001-5004
-
-
Dzubiella, J.1
Allen, R.J.2
Hansen, J.P.3
-
10
-
-
0000016785
-
A computer simulation of the classic experiment on osmosis and osmotic pressure
-
S. Murad, and J. G. Powles A computer simulation of the classic experiment on osmosis and osmotic pressure J. Chem. Phys. 99 1993 7271 7272
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 7271-7272
-
-
Murad, S.1
Powles, J.G.2
-
12
-
-
77951057326
-
Structural basis for solute transport, nucleotide regulation, and immunological recognition of Neisseria meningitidis PorB
-
M. Tanabe, C.M. Nimigean, and T.M. Iverson Structural basis for solute transport, nucleotide regulation, and immunological recognition of Neisseria meningitidis PorB Proc. Natl. Acad. Sci. USA 107 2010 6811 6816
-
(2010)
Proc. Natl. Acad. Sci. USA
, vol.107
, pp. 6811-6816
-
-
Tanabe, M.1
Nimigean, C.M.2
Iverson, T.M.3
-
13
-
-
0026779245
-
Crystal structures explain functional properties of two E. coli porins
-
S.W. Cowan, and T. Schirmer J.P. Rosenbusch Crystal structures explain functional properties of two E. coli porins Nature 358 1992 727 733
-
(1992)
Nature
, vol.358
, pp. 727-733
-
-
Cowan, S.W.1
Schirmer, T.2
Rosenbusch, J.P.3
-
14
-
-
0041343084
-
Multistep mechanism of chloride translocation in a strongly anion-selective porin channel
-
U. Zachariae, V. Helms, and H. Engelhardt Multistep mechanism of chloride translocation in a strongly anion-selective porin channel Biophys. J. 85 2003 954 962 (Pubitemid 36909659)
-
(2003)
Biophysical Journal
, vol.85
, Issue.2
, pp. 954-962
-
-
Zachariae, U.1
Helms, V.2
Engelhardt, H.3
-
15
-
-
33646354636
-
High resolution crystal structures and molecular dynamics studies reveal substrate binding in the porin Omp32
-
DOI 10.1074/jbc.M510939200
-
U. Zachariae, and T. Klühspies K. Zeth High resolution crystal structures and molecular dynamics studies reveal substrate binding in the porin Omp32 J. Biol. Chem. 281 2006 7413 7420 (Pubitemid 43847512)
-
(2006)
Journal of Biological Chemistry
, vol.281
, Issue.11
, pp. 7413-7420
-
-
Zachariae, U.1
Kluhspies, T.2
De, S.3
Engelhardt, H.4
Zeth, K.5
-
16
-
-
0037320106
-
The role of porins in neisserial pathogenesis and immunity
-
DOI 10.1016/S0966-842X(02)00037-9
-
P. Massari, and S. Ram L.M. Wetzler The role of porins in Neisserial pathogenesis and immunity Trends Microbiol. 11 2003 87 93 (Pubitemid 36207505)
-
(2003)
Trends in Microbiology
, vol.11
, Issue.2
, pp. 87-93
-
-
Massari, P.1
Ram, S.2
Macleod, H.3
Wetzler, L.M.4
-
17
-
-
73449094254
-
Bacterial porin disrupts mitochondrial membrane potential and sensitizes host cells to apoptosis
-
V. Kozjak-Pavlovic, and E.A. Dian-Lothrop T. Rudel Bacterial porin disrupts mitochondrial membrane potential and sensitizes host cells to apoptosis PLoS Pathog. 5 2009 e1000629
-
(2009)
PLoS Pathog.
, vol.5
, pp. 1000629
-
-
Kozjak-Pavlovic, V.1
Dian-Lothrop, E.A.2
Rudel, T.3
-
18
-
-
56349139534
-
The porin and the permeating antibiotic: A selective diffusion barrier in Gram-negative bacteria
-
J.M. Pags, C.E. James, and M. Winterhalter The porin and the permeating antibiotic: a selective diffusion barrier in Gram-negative bacteria Nat. Rev. Microbiol. 6 2008 893 903
-
(2008)
Nat. Rev. Microbiol.
, vol.6
, pp. 893-903
-
-
Pags, J.M.1
James, C.E.2
Winterhalter, M.3
-
19
-
-
33645215828
-
Porin-mediated antibiotic resistance in Neisseria gonorrhoeae: Ion, solute, and antibiotic permeation through PIB proteins with penB mutations
-
M. Olesky, and S. Zhao R.A. Nicholas Porin-mediated antibiotic resistance in Neisseria gonorrhoeae: ion, solute, and antibiotic permeation through PIB proteins with penB mutations J. Bacteriol. 188 2006 2300 2308
-
(2006)
J. Bacteriol.
, vol.188
, pp. 2300-2308
-
-
Olesky, M.1
Zhao, S.2
Nicholas, R.A.3
-
21
-
-
46249092554
-
GROMACS 4.0: Algorithms for highly efficient, load-balanced, and scalable molecular simulation
-
B. Hess, and C. Kutzner E. Lindahl GROMACS 4.0: algorithms for highly efficient, load-balanced, and scalable molecular simulation J. Chem. Theory Comput. 4 2008 435 447
-
(2008)
J. Chem. Theory Comput.
, vol.4
, pp. 435-447
-
-
Hess, B.1
Kutzner, C.2
Lindahl, E.3
-
22
-
-
15844387753
-
Short openings in high resolution single channel recordings of mouse nicotinic receptors
-
DOI 10.1113/jphysiol.2004.080606
-
S. Hallermann, and S. Heckmann M. Heckmann Short openings in high resolution single channel recordings of mouse nicotinic receptors J. Physiol. 563 2005 645 662 (Pubitemid 40425586)
-
(2005)
Journal of Physiology
, vol.563
, Issue.3
, pp. 645-662
-
-
Hallermann, S.1
Heckmann, S.2
Dudel, J.3
Heckmann, M.4
-
23
-
-
0036213027
-
Reservoir boundaries in brownian dynamics simulations of ion channels
-
B. Corry, and M. Hoyles S.H. Chung Reservoir boundaries in Brownian dynamics simulations of ion channels Biophys. J. 82 2002 1975 1984 (Pubitemid 34280812)
-
(2002)
Biophysical Journal
, vol.82
, Issue.4
, pp. 1975-1984
-
-
Corry, B.1
Hoyles, M.2
Allen, T.W.3
Walker, M.4
Kuyucak, S.5
Chung, S.-H.6
-
24
-
-
68149136569
-
Replica exchange with nonequilibrium switches
-
A.J. Ballard, and C. Jarzynski Replica exchange with nonequilibrium switches Proc. Natl. Acad. Sci. USA 106 2009 12224 12229
-
(2009)
Proc. Natl. Acad. Sci. USA
, vol.106
, pp. 12224-12229
-
-
Ballard, A.J.1
Jarzynski, C.2
-
25
-
-
4243754128
-
Nonequilibrium equality for free energy differences
-
C. Jarzynski Nonequilibrium equality for free energy differences Phys. Rev. Lett. 78 1997 2690 2693 (Pubitemid 127655287)
-
(1997)
Physical Review Letters
, vol.78
, Issue.14
, pp. 2690-2693
-
-
Jarzynski, C.1
-
26
-
-
33646471468
-
Statistical mechanics of fluid mixtures
-
J. Kirkwood Statistical mechanics of fluid mixtures J. Chem. Phys. 3 1935 300 313
-
(1935)
J. Chem. Phys.
, vol.3
, pp. 300-313
-
-
Kirkwood, J.1
-
27
-
-
0000112789
-
Molecular dynamics simulations of a fully hydrated dipalmitoylphosphatidylcholine bilayer with different macroscopic boundary conditions and parameters
-
D. Tieleman, and H. Berendsen Molecular dynamics simulations of a fully hydrated dipalmitoylphosphatidylcholine bilayer with different macroscopic boundary conditions and parameters J. Chem. Phys. 105 1996 4871 4880 (Pubitemid 126747856)
-
(1996)
Journal of Chemical Physics
, vol.105
, Issue.11
, pp. 4871-4880
-
-
Tieleman, D.P.1
Berendsen, H.J.C.2
-
28
-
-
67249130642
-
Calculation of the electrostatic potential of lipid bilayers from molecular dynamics simulations: Methodological issues
-
A.A. Gurtovenko, and I. Vattulainen Calculation of the electrostatic potential of lipid bilayers from molecular dynamics simulations: methodological issues J. Chem. Phys. 130 2009 215107
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 215107
-
-
Gurtovenko, A.A.1
Vattulainen, I.2
-
29
-
-
77954256616
-
Gmembed: Efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation
-
M.G. Wolf, and M. Hoefling G. Groenhof Gmembed: Efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation J. Comput. Chem. 31 2010 2169 2174
-
(2010)
J. Comput. Chem.
, vol.31
, pp. 2169-2174
-
-
Wolf, M.G.1
Hoefling, M.2
Groenhof, G.3
-
30
-
-
33748518255
-
Comparison of multiple amber force fields and development of improved protein backbone parameters
-
DOI 10.1002/prot.21123
-
V. Hornak, and R. Abel C. Simmerling Comparison of multiple AMBER force fields and development of improved protein backbone parameters Proteins 65 2006 712 725 (Pubitemid 44583220)
-
(2006)
Proteins: Structure, Function and Genetics
, vol.65
, Issue.3
, pp. 712-725
-
-
Hornak, V.1
Abel, R.2
Okur, A.3
Strockbine, B.4
Roitberg, A.5
Simmerling, C.6
-
31
-
-
0030999097
-
Molecular dynamics simulations of a fluid bilayer of dipalmitoylphosphatidylcholine at full hydration, constant pressure, and constant temperature
-
O. Berger, O. Edholm, and F. Jähnig Molecular dynamics simulations of a fluid bilayer of dipalmitoylphosphatidylcholine at full hydration, constant pressure, and constant temperature Biophys. J. 72 1997 2002 2013 (Pubitemid 27184429)
-
(1997)
Biophysical Journal
, vol.72
, Issue.5
, pp. 2002-2013
-
-
Berger, O.1
Edholm, O.2
Jahnig, F.3
-
33
-
-
84986440341
-
SETTLE - An analytical version of the SHAKE and RATTLE algorithm for rigid water models
-
S. Miyamoto, and P. Kollman SETTLE - an analytical version of the SHAKE and RATTLE algorithm for rigid water models J. Comput. Chem. 13 1992 952 962
-
(1992)
J. Comput. Chem.
, vol.13
, pp. 952-962
-
-
Miyamoto, S.1
Kollman, P.2
-
35
-
-
38749123962
-
P-LINCS: A parallel linear constraint solver for molecular simulation
-
B. Hess P-LINCS: a parallel linear constraint solver for molecular simulation J. Chem. Theory Comput. 4 2008 116 122
-
(2008)
J. Chem. Theory Comput.
, vol.4
, pp. 116-122
-
-
Hess, B.1
-
36
-
-
33846086933
-
Canonical sampling through velocity rescaling
-
G. Bussi, D. Donadio, and M. Parrinello Canonical sampling through velocity rescaling J. Chem. Phys. 126 2007 014101
-
(2007)
J. Chem. Phys.
, vol.126
, pp. 014101
-
-
Bussi, G.1
Donadio, D.2
Parrinello, M.3
-
37
-
-
0001585978
-
Improving efficiency of large time-scale molecular dynamics simulations of hydrogen-rich systems
-
K. Feenstra, B. Hess, and H. Berendsen Improving efficiency of large time-scale molecular dynamics simulations of hydrogen-rich systems J. Comput. Chem. 20 1999 786 798 (Pubitemid 129656127)
-
(1999)
Journal of Computational Chemistry
, vol.20
, Issue.8
, pp. 786-798
-
-
Feenstra, K.A.1
Hess, B.2
Berendsen, H.J.C.3
-
38
-
-
33846823909
-
Particle mesh Ewald: An Nlog(N) method for Ewald sums in large systems
-
T. Darden, D. York, and L. Pedersen Particle mesh Ewald: an Nlog(N) method for Ewald sums in large systems J. Chem. Phys. 98 1993 10089 10092
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 10089-10092
-
-
Darden, T.1
York, D.2
Pedersen, L.3
-
39
-
-
33645961739
-
A smooth particle mesh Ewald method
-
U. Essmann, and L. Perera H. Lee A smooth particle mesh Ewald method J. Chem. Phys. 103 1995 8577 8593
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 8577-8593
-
-
Essmann, U.1
Perera, L.2
Lee, H.3
-
40
-
-
33750587438
-
Molecular dynamics with coupling to an external bath
-
H. Berendsen, and J. Postma J. Haak Molecular dynamics with coupling to an external bath J. Chem. Phys. 81 1984 3684 3690
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 3684-3690
-
-
Berendsen, H.1
Postma, J.2
Haak, J.3
-
41
-
-
67649963000
-
Crystal structure of a yeast aquaporin at 1.15 ngstrom reveals a novel gating mechanism
-
G. Fischer, and U. Kosinska-Eriksson K. Lindkvist-Petersson Crystal structure of a yeast aquaporin at 1.15 ngstrom reveals a novel gating mechanism PLoS Biol. 7 2009 e1000130
-
(2009)
PLoS Biol.
, vol.7
, pp. 1000130
-
-
Fischer, G.1
Kosinska-Eriksson, U.2
Lindkvist-Petersson, K.3
-
43
-
-
0033884302
-
A grand canonical Monte Carlo-Brownian Dynamics algorithm for simulating ion channels
-
W. Im, S. Seefeld, and B. Roux A grand canonical Monte Carlo-Brownian dynamics algorithm for simulating ion channels Biophys. J. 79 2000 788 801 (Pubitemid 30626174)
-
(2000)
Biophysical Journal
, vol.79
, Issue.2
, pp. 788-801
-
-
Im, W.1
Seefeld, S.2
Roux, B.3
-
44
-
-
0036389892
-
Ion permeation and selectivity of OmpF porin: A theoretical study based on molecular dynamics, Brownian dynamics, and continuum electrodiffusion theory
-
W. Im, and B. Roux Ion permeation and selectivity of OmpF porin: a theoretical study based on molecular dynamics, Brownian dynamics, and continuum electrodiffusion theory J. Mol. Biol. 322 2002 851 869
-
(2002)
J. Mol. Biol.
, vol.322
, pp. 851-869
-
-
Im, W.1
Roux, B.2
-
45
-
-
0032513175
-
Successful recovery of the normal electrophysiological properties of PorB (Class 3) porin from neisseria meningitidis after expression in Escherichia coli and renaturation
-
DOI 10.1016/S0005-2736(97)00279-4, PII S0005273697002794
-
J. Song, and C.A. Minetti M. Colombini Successful recovery of the normal electrophysiological properties of PorB (class 3) porin from Neisseria meningitidis after expression in Escherichia coli and renaturation Biochim. Biophys. Acta 1370 1998 289 298 (Pubitemid 28183981)
-
(1998)
Biochimica et Biophysica Acta - Biomembranes
, vol.1370
, Issue.2
, pp. 289-298
-
-
Song, J.1
Minetti, C.A.S.A.2
Blake, M.S.3
Colombini, M.4
-
47
-
-
84946448223
-
Dipole moment fluctuation formulas in computer simulations of polar systems
-
M. Neumann Dipole moment fluctuation formulas in computer simulations of polar systems Mol. Phys. 50 1983 841 858
-
(1983)
Mol. Phys.
, vol.50
, pp. 841-858
-
-
Neumann, M.1
|