-
1
-
-
85022457076
-
Tetraphilin: A four-helix proton channel built on a tetraphenylporphyrin framework
-
Åkerfeldt, K. S., R. M. Kim, D. Cama, J. T. Groves, J. D. Lear, and W. F. DeGrado. 1992. Tetraphilin: a four-helix proton channel built on a tetraphenylporphyrin framework. J. Am. Chem. Soc. 114:9656-6567.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 9656-16567
-
-
Åkerfeldt, K.S.1
Kim, R.M.2
Cama, D.3
Groves, J.T.4
Lear, J.D.5
DeGrado, W.F.6
-
2
-
-
0001513363
-
Synthetic peptides as models for ion channel proteins
-
Åkerfeldt, K. S., J. D. Lear, Z. R. Wasserman, L. A. Chung, and W. F. DeGrado. 1993. Synthetic peptides as models for ion channel proteins. Acc. Chem. Res. 26:191-197.
-
(1993)
Acc. Chem. Res.
, vol.26
, pp. 191-197
-
-
Åkerfeldt, K.S.1
Lear, J.D.2
Wasserman, Z.R.3
Chung, L.A.4
DeGrado, W.F.5
-
3
-
-
33750587438
-
Molecular dynamics with coupling to an external bath
-
Berendsen, H. J. C., J. P. M. Postma, A. DiNola, and J. R. Haak. 1984. Molecular dynamics with coupling to an external bath. J. Chem. Phys. 81:3684-3690.
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 3684-3690
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
DiNola, A.3
Haak, J.R.4
-
5
-
-
0028898004
-
Competing interactions contributing to alpha-helical stability in aqueous solution
-
Bodkin, M. J., and J. M. Goodfellow. 1995. Competing interactions contributing to alpha-helical stability in aqueous solution. Protein Sci. 4:603-612.
-
(1995)
Protein Sci.
, vol.4
, pp. 603-612
-
-
Bodkin, M.J.1
Goodfellow, J.M.2
-
6
-
-
0029863372
-
Molecular dynamics simulations of water within models of ion channels
-
Breed, J., R. Sankararamakrishnan, I. D. Kerr, and M. S. P. Sansom. 1996. Molecular dynamics simulations of water within models of ion channels. Biophys. J. 70:1643-1661.
-
(1996)
Biophys. J.
, vol.70
, pp. 1643-1661
-
-
Breed, J.1
Sankararamakrishnan, R.2
Kerr, I.D.3
Sansom, M.S.P.4
-
8
-
-
0032545321
-
Structure of the MscL homolog from mycobacterium tuberculosis: A gated mechanosensitive ion channel
-
Chang, G., R. H. Spencer, A. T. Lee, M. T. Barclay, and D. C. Rees. 1998. Structure of the MscL homolog from mycobacterium tuberculosis: a gated mechanosensitive ion channel. Science. 282:2220-2226.
-
(1998)
Science
, vol.282
, pp. 2220-2226
-
-
Chang, G.1
Spencer, R.H.2
Lee, A.T.3
Barclay, M.T.4
Rees, D.C.5
-
10
-
-
0026779245
-
Crystal structures explain functional properties of two E. coli porins
-
Cowan, S. W., T. Shirmer, G. Rumel, M. Steiert, R. Ghosh, R. A. Pauptit, J. N. Jansonius, and J. P. Rosenbusch. 1992. Crystal structures explain functional properties of two E. coli porins. Nature. 358:727-733.
-
(1992)
Nature
, vol.358
, pp. 727-733
-
-
Cowan, S.W.1
Shirmer, T.2
Rumel, G.3
Steiert, M.4
Ghosh, R.5
Pauptit, R.A.6
Jansonius, J.N.7
Rosenbusch, J.P.8
-
11
-
-
0025008819
-
Conformationally constrained a-helical peptide models for protein ion channels
-
DeGrado, W. F., and J. D. Lear. 1990. Conformationally constrained a-helical peptide models for protein ion channels. Biopolymers. 29: 205-213.
-
(1990)
Biopolymers
, vol.29
, pp. 205-213
-
-
DeGrado, W.F.1
Lear, J.D.2
-
12
-
-
0032989631
-
Exploration of the structural features defining the conduction properties of a synthetic ion channel
-
Dieckmann, G. R., J. D. Lear, Q. Zhong, M. L. Klein, W. F. DeGrado, and K. A. Sharp. 1999. Exploration of the structural features defining the conduction properties of a synthetic ion channel. Biophys. J. 76: 618-630.
-
(1999)
Biophys. J.
, vol.76
, pp. 618-630
-
-
Dieckmann, G.R.1
Lear, J.D.2
Zhong, Q.3
Klein, M.L.4
DeGrado, W.F.5
Sharp, K.A.6
-
14
-
-
0032561237
-
Pathway to a folding intermediate observed in a microsecond simulation in aqueous solution
-
Duan, Y., and P. A. Kollman. 1998. Pathway to a folding intermediate observed in a microsecond simulation in aqueous solution. Science. 282:740-744.
-
(1998)
Science
, vol.282
, pp. 740-744
-
-
Duan, Y.1
Kollman, P.A.2
-
15
-
-
0029026347
-
Structure and fluctuations of bacteriorhodopsin in the purple membrane: A molecular dynamics study
-
Edholm, O., O. Berger, and F. Jahnig. 1995. Structure and fluctuations of bacteriorhodopsin in the purple membrane: a molecular dynamics study. J.Mol. Biol. 250:94-111.
-
(1995)
J.mol. Biol.
, vol.250
, pp. 94-111
-
-
Edholm, O.1
Berger, O.2
Jahnig, F.3
-
16
-
-
0028170113
-
The aquaporin family of membrane water channels
-
Engel, A., T. Walz, and P. Agre. 1994. The aquaporin family of membrane water channels. Curr. Opin. Struct. Biol. 4:545-553.
-
(1994)
Curr. Opin. Struct. Biol.
, vol.4
, pp. 545-553
-
-
Engel, A.1
Walz, T.2
Agre, P.3
-
17
-
-
0000750272
-
Structure and dynamics of self-assembling peptide nanotubes and the channel-mediated water organization and self-diffusion - A molecular dynamics study
-
Engels, M., D. Bashford, and M. R. Ghadiri. 1995. Structure and dynamics of self-assembling peptide nanotubes and the channel-mediated water organization and self-diffusion - a molecular dynamics study. J. Am. Chem. Soc. 117:9151-9158.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 9151-9158
-
-
Engels, M.1
Bashford, D.2
Ghadiri, M.R.3
-
18
-
-
0032410913
-
Two models of the influenza A M2 channel domain: Verification by comparison
-
Forrest, L. R., W. F. DeGrado, G. R. Dieckmann, and M. S. P. Sansom. 1998. Two models of the influenza A M2 channel domain: verification by comparison. Folding Design. 3:443-448.
-
(1998)
Folding Design
, vol.3
, pp. 443-448
-
-
Forrest, L.R.1
DeGrado, W.F.2
Dieckmann, G.R.3
Sansom, M.S.P.4
-
19
-
-
0032992048
-
Defining the transmembrane helix of M2 protein from influenza A by molecular dynamics simulations in a lipid bilayer
-
Forrest, L. R., and M. S. P. Sansom. 1999. Defining the transmembrane helix of M2 protein from influenza A by molecular dynamics simulations in a lipid bilayer. Biophys. J. 76:1886-1896.
-
(1999)
Biophys. J.
, vol.76
, pp. 1886-1896
-
-
Forrest, L.R.1
Sansom, M.S.P.2
-
20
-
-
0028174318
-
Artificial transmembrane ion channels from self-assembling peptide nanotubes
-
Ghadiri, M. R., J. R. Granja, and L. K. Buehler. 1994. Artificial transmembrane ion channels from self-assembling peptide nanotubes. Nature. 369:301-304.
-
(1994)
Nature
, vol.369
, pp. 301-304
-
-
Ghadiri, M.R.1
Granja, J.R.2
Buehler, L.K.3
-
21
-
-
0032001229
-
Molecular dynamics study of the structure and dynamics of water in cylindrical pores
-
Hartnig, C, W. Witschel, and E. Spohr. 1998. Molecular dynamics study of the structure and dynamics of water in cylindrical pores. J. Phys. Chem. B. 102:1241-1249.
-
(1998)
J. Phys. Chem. B.
, vol.102
, pp. 1241-1249
-
-
Hartnig, C.1
Witschel, W.2
Spohr, E.3
-
22
-
-
0000388705
-
LINCS: A linear constraint solver for molecular simulations
-
Hess, B., H. Bekker, H. J. C. Berendsen, and J. G. E. M. Fraaije. 1997. LINCS: a linear constraint solver for molecular simulations. J. Comp. Chem. 18:1463-1472.
-
(1997)
J. Comp. Chem.
, vol.18
, pp. 1463-1472
-
-
Hess, B.1
Bekker, H.2
Berendsen, H.J.C.3
Fraaije, J.G.E.M.4
-
24
-
-
0023371196
-
Stochastic theory of ion movement in channels with single-ion occupancy. Application to sodium permeation of gramicidin channels
-
Jakobsson, E., and S. W. Chiu. 1987. Stochastic theory of ion movement in channels with single-ion occupancy. Application to sodium permeation of gramicidin channels. Biophys. J. 52:33-45.
-
(1987)
Biophys. J.
, vol.52
, pp. 33-45
-
-
Jakobsson, E.1
Chiu, S.W.2
-
25
-
-
0028070549
-
Parallel helix bundles and ion channels: Molecular modeling via simulated annealing and restrained molecular dynamics
-
Kerr, I. D., R. Sankararamakrishnan, O. S. Smart, and M. S. P. Sansom. 1994. Parallel helix bundles and ion channels: molecular modeling via simulated annealing and restrained molecular dynamics. Biophys. J. 67:1501-1515.
-
(1994)
Biophys. J.
, vol.67
, pp. 1501-1515
-
-
Kerr, I.D.1
Sankararamakrishnan, R.2
Smart, O.S.3
Sansom, M.S.P.4
-
26
-
-
0028278173
-
A helical-dipole model describes the single-channel current rectification of an uncharged peptide ion channel
-
Kienker, P. K., W. F. DeGrado, and J. D. Lear. 1994. A helical-dipole model describes the single-channel current rectification of an uncharged peptide ion channel. Proc. Nail. Acad. Sci. USA. 91:4859-4863.
-
(1994)
Proc. Nail. Acad. Sci. USA
, vol.91
, pp. 4859-4863
-
-
Kienker, P.K.1
DeGrado, W.F.2
Lear, J.D.3
-
27
-
-
0026244229
-
Molscript-a program to produce both detailed and schematic plots of protein structures
-
Kraulis, P. J. 1991. Molscript-a program to produce both detailed and schematic plots of protein structures. J. Appl. Crystallogr. 24:946-950.
-
(1991)
J. Appl. Crystallogr.
, vol.24
, pp. 946-950
-
-
Kraulis, P.J.1
-
28
-
-
0030974351
-
Electrostatic effects on ion selectivity and rectification in designed ion channel peptides
-
Lear, J. D., J. P. Schneider, P. K. Kienker, and W. F. DeGrado. 1997. Electrostatic effects on ion selectivity and rectification in designed ion channel peptides. J. Am. Chem. Soc. 119:3212-3217.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 3212-3217
-
-
Lear, J.D.1
Schneider, J.P.2
Kienker, P.K.3
DeGrado, W.F.4
-
29
-
-
0023907575
-
Synthetic amphiphilic peptide models for protein ion channels
-
Lear, J. D., Z. R. Wasserman, and W. F. DeGrado. 1988. Synthetic amphiphilic peptide models for protein ion channels. Science. 240: 1177-1181.
-
(1988)
Science
, vol.240
, pp. 1177-1181
-
-
Lear, J.D.1
Wasserman, Z.R.2
DeGrado, W.F.3
-
30
-
-
0008159212
-
-
Membrane Protein Structure: Experimental Approaches. Oxford University Press, Oxford, England
-
Lear, J. D., Z. R. Wasserman, and W. F. DeGrado. 1994. Use of Synthetic Peptides for the Study of Membrane Protein Structure. Membrane Protein Structure: Experimental Approaches. Oxford University Press, Oxford, England.
-
(1994)
Use of Synthetic Peptides for the Study of Membrane Protein Structure
-
-
Lear, J.D.1
Wasserman, Z.R.2
DeGrado, W.F.3
-
31
-
-
0030457853
-
Molecular dynamics simulations of ion channels formed by bundles of amphipathic α-helical peptides
-
Mitton, P., and M. S. P. Sansom. 1996. Molecular dynamics simulations of ion channels formed by bundles of amphipathic α-helical peptides. Eur. Biophys. J. 25:139-150.
-
(1996)
Eur. Biophys. J.
, vol.25
, pp. 139-150
-
-
Mitton, P.1
Sansom, M.S.P.2
-
32
-
-
0010528163
-
M2δ, a candidate for the structure lining the ionic channel of the nicotinic cholinergic receptor
-
Oiki, S., W. Danho, V. Madison, and M. Montal. 1988. M2δ, a candidate for the structure lining the ionic channel of the nicotinic cholinergic receptor. Proc. Natl. Acad. Sci. USA. 85:8703-8707.
-
(1988)
Proc. Natl. Acad. Sci. USA.
, vol.85
, pp. 8703-8707
-
-
Oiki, S.1
Danho, W.2
Madison, V.3
Montal, M.4
-
33
-
-
0024121468
-
Channel protein engineering: Synthetic 22-mer peptide from the primary structure of the voltage-sensitive sodium channel forms ionic channels in lipid bilayers
-
Oiki, S., W. Danho, and M. Montal. 1987. Channel protein engineering: synthetic 22-mer peptide from the primary structure of the voltage-sensitive sodium channel forms ionic channels in lipid bilayers. Proc. Natl. Acad. Sci. USA. 85:2393-2397.
-
(1987)
Proc. Natl. Acad. Sci. USA
, vol.85
, pp. 2393-2397
-
-
Oiki, S.1
Danho, W.2
Montal, M.3
-
34
-
-
0031862465
-
+ conduction along hydrogen-bonded chains of water molecules
-
+ conduction along hydrogen-bonded chains of water molecules. Biophys. J. 75: 33-40.
-
(1998)
Biophys. J.
, vol.75
, pp. 33-40
-
-
Pomes, R.1
Roux, B.2
-
35
-
-
0027232024
-
Ion transport in the gramicidin channel -free energy of the solvated right-handed dimer in a model membrane
-
Roux, B., and M. Karplus. 1993. Ion transport in the gramicidin channel -free energy of the solvated right-handed dimer in a model membrane. J. Am. Chem. Soc. 115:3250-3262.
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 3250-3262
-
-
Roux, B.1
Karplus, M.2
-
36
-
-
0029813087
-
The pore domain of the nicotinic acetylcholine receptor: Molecular modelling and electrostatics
-
Sankararamakrishnan, R., C. Adcock, and M. S. P. Sansom. 1996. The pore domain of the nicotinic acetylcholine receptor: molecular modelling and electrostatics. Biophys. J. 71:1659-1671.
-
(1996)
Biophys. J.
, vol.71
, pp. 1659-1671
-
-
Sankararamakrishnan, R.1
Adcock, C.2
Sansom, M.S.P.3
-
37
-
-
0030066737
-
Water in channel-like cavities: Structure and dynamics
-
Sansom, M. S. P., I. D. Kerr, P. C. Biggin, and P. A. Mitton. 1996. Water in channel-like cavities: structure and dynamics. Biophys. J. 70: 693-702.
-
(1996)
Biophys. J.
, vol.70
, pp. 693-702
-
-
Sansom, M.S.P.1
Kerr, I.D.2
Biggin, P.C.3
Mitton, P.A.4
-
38
-
-
11644271492
-
Multistate empirical valence bond model for proton transport in water
-
Schmitt, U. W., and G. A. Voth. 1998. Multistate empirical valence bond model for proton transport in water. J. Phys. Chem. B. 102:5547-5551.
-
(1998)
J. Phys. Chem. B.
, vol.102
, pp. 5547-5551
-
-
Schmitt, U.W.1
Voth, G.A.2
-
39
-
-
0017808625
-
Molecular order in cis and trans unsaturated phospholipid bilayers
-
Seelig, J., and N. Waespe-Sarcevic. 1978. Molecular order in cis and trans unsaturated phospholipid bilayers. Biochemistry. 17:3310-3315.
-
(1978)
Biochemistry
, vol.17
, pp. 3310-3315
-
-
Seelig, J.1
Waespe-Sarcevic, N.2
-
41
-
-
0031042584
-
A novel method for structure-based prediction of ion channel conductance properties
-
Smart, O. S., J. Breed, G. R. Smith, and M. S. P. Sansom. 1997. A novel method for structure-based prediction of ion channel conductance properties. Biophys. J. 72:1109-1126.
-
(1997)
Biophys. J.
, vol.72
, pp. 1109-1126
-
-
Smart, O.S.1
Breed, J.2
Smith, G.R.3
Sansom, M.S.P.4
-
42
-
-
0032228375
-
Structure-based prediction of the conductance properties of ion channels
-
in press
-
Smart, O. S., G. M. P. Coates, M. S. P. Sansom, G. M. Alder, and C. L. Bashford. 1999. Structure-based prediction of the conductance properties of ion channels. Faraday Discuss, (in press).
-
(1999)
Faraday Discuss
-
-
Smart, O.S.1
Coates, G.M.P.2
Sansom, M.S.P.3
Alder, G.M.4
Bashford, C.L.5
-
43
-
-
0031767375
-
+ ions in models of ion channels: A molecular dynamics study
-
+ ions in models of ion channels: a molecular dynamics study. Biophys. J. 75:2767-2782.
-
(1998)
Biophys. J.
, vol.75
, pp. 2767-2782
-
-
Smith, G.R.1
Sansom, M.S.P.2
-
44
-
-
0031860932
-
A molecular dynamics study of the pores formed by Escherichia coli OmpF porin in a fully hydrated palmitoyloleoylphosphatidylcholine bilayer
-
Tieleman, P., and H. J. C. Berendsen. 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, P.1
Berendsen, H.J.C.2
-
45
-
-
0033035249
-
An alamethicin channel in a lipid bilayer: Molecular dynamics simulations
-
Tieleman, D. P., H. J. C. Berendsen, and M. S. P. Sansom. 1999. An alamethicin channel in a lipid bilayer: molecular dynamics simulations. Biophys. J. 76:1757-1769.
-
(1999)
Biophys. J.
, vol.76
, pp. 1757-1769
-
-
Tieleman, D.P.1
Berendsen, H.J.C.2
Sansom, M.S.P.3
-
46
-
-
0024848780
-
The structure of ion channels in membrane of excitable cells
-
Unwin, N. 1989. The structure of ion channels in membrane of excitable cells. Neuron. 3:665-676.
-
(1989)
Neuron
, vol.3
, pp. 665-676
-
-
Unwin, N.1
-
47
-
-
0027506299
-
Nicotinic acetylcholine receptor at 9 A resolution
-
Unwin, N. 1993. Nicotinic acetylcholine receptor at 9 A resolution. J. Mol. Biol. 229:1101-1124.
-
(1993)
J. Mol. Biol.
, vol.229
, pp. 1101-1124
-
-
Unwin, N.1
-
48
-
-
0028921479
-
Acetylcholine receptor channel imaged in the open state
-
Unwin, N. 1995. Acetylcholine receptor channel imaged in the open state. Nature. 373:37-43.
-
(1995)
Nature
, vol.373
, pp. 37-43
-
-
Unwin, N.1
-
49
-
-
0029375244
-
Projection map of aquaporin-1 determined by electron crystallography
-
Walz, T., D. Typke, B. L. Smith, P. Agre, and A. Engel. 1995. Projection map of aquaporin-1 determined by electron crystallography. Nature Struct. Biol. 2:730-732.
-
(1995)
Nature Struct. Biol.
, vol.2
, pp. 730-732
-
-
Walz, T.1
Typke, D.2
Smith, B.L.3
Agre, P.4
Engel, A.5
-
50
-
-
0028020035
-
Molecular dynamics simulation of the gramicidin channel in a phospholipid bilayer
-
Woolf, T. B., and B. Roux. 1994. Molecular dynamics simulation of the gramicidin channel in a phospholipid bilayer. Proc. Natl. Acad. Sci. USA. 91:11631-11635.
-
(1994)
Proc. Natl. Acad. Sci. USA
, vol.91
, pp. 11631-11635
-
-
Woolf, T.B.1
Roux, B.2
-
51
-
-
0030851379
-
Intrinsic rectification of ion flux in alamethicin channels: Studies with an alamethicin dimer
-
Woolley, G. A., P. C. Biggin, A. Schultz, L. Lien, D. C. J. J. Breed, K. Crowhurst, and M. S. Sansom. 1997. Intrinsic rectification of ion flux in alamethicin channels: studies with an alamethicin dimer. Biophys. J. 73:770-778.
-
(1997)
Biophys. J.
, vol.73
, pp. 770-778
-
-
Woolley, G.A.1
Biggin, P.C.2
Schultz, A.3
Lien, L.4
Breed, D.C.J.J.5
Crowhurst, K.6
Sansom, M.S.7
-
52
-
-
0031961956
-
Molecular dynamics simulation of a synthetic ion channel
-
Zhong, Q., Q. Jiang, P. B. Moore, D. M. Newns, and M. L. Klein. 1998a. Molecular dynamics simulation of a synthetic ion channel. Biophys. J. 74:3-10,
-
(1998)
Biophys. J.
, vol.74
, pp. 3-10
-
-
Zhong, Q.1
Jiang, Q.2
Moore, P.B.3
Newns, D.M.4
Klein, M.L.5
-
53
-
-
0032496397
-
Molecular dynamics study of the ls3 voltage-gated ion channel
-
Zhong, Q., P. B. Moore, D. M. Newns, and M. L. Klein. 1998b. Molecular dynamics study of the LS3 voltage-gated ion channel. FEBS Lett. 427:267-270.
-
(1998)
FEBS Lett.
, vol.427
, pp. 267-270
-
-
Zhong, Q.1
Moore, P.B.2
Newns, D.M.3
Klein, M.L.4
|