-
1
-
-
0000127690
-
Molecular and Brownian dynamics study of ion selectivity and conductivity in the potassium channel
-
Allen, T. W., M. Hoyles, S. Kuyucak, and S. H. Chung. 1999. Molecular and Brownian dynamics study of ion selectivity and conductivity in the potassium channel. Chem. Phys. Let. 313:358-365.
-
(1999)
Chem. Phys. Let.
, vol.313
, pp. 358-365
-
-
Allen, T.W.1
Hoyles, M.2
Kuyucak, S.3
Chung, S.H.4
-
2
-
-
0026471029
-
Molecular determinants of channel function
-
Andersen, O. S., and R. E. Koeppe, II. 1992. Molecular determinants of channel function. Physiol. Rev. 72:S89-S158.
-
(1992)
Physiol. Rev.
, vol.72
-
-
Andersen, O.S.1
Koeppe R.E. II2
-
3
-
-
23044528770
-
Transporters of neurotransmitters: Receptive, transport, and channel functions
-
Antonov, S. M. 2001. Transporters of neurotransmitters: receptive, transport, and channel functions. J. Evol. Biochem. Physiol. 37:328-334.
-
(2001)
J. Evol. Biochem. Physiol.
, vol.37
, pp. 328-334
-
-
Antonov, S.M.1
-
4
-
-
0344796204
-
Ion water interaction potentials derived from free-energy perturbation simulations
-
Aqvist, J. 1990. Ion water interaction potentials derived from free-energy perturbation simulations. J. Phys. Chem. 94:8021-8024.
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 8021-8024
-
-
Aqvist, J.1
-
5
-
-
0024307719
-
Energetics of ion permeation through membrane channels
-
Aqvist, J., and A. Warshel. 1989. Energetics of ion permeation through membrane channels. Biophys. J. 56:171-182.
-
(1989)
Biophys. J.
, vol.56
, pp. 171-182
-
-
Aqvist, J.1
Warshel, A.2
-
6
-
-
0000346708
-
Gramicidin A transmembrane ion-channel. Three-dimensional structure reconstruction based on NMR spectroscopy and energy refinement
-
Arsen'ev, A. S., A. L. Lomize, I. L. Barsukov, and V. F. Bystrov. 1986. Gramicidin A transmembrane ion-channel. Three-dimensional structure reconstruction based on NMR spectroscopy and energy refinement. Biol. Membr. 3:1077-1104.
-
(1986)
Biol. Membr.
, vol.3
, pp. 1077-1104
-
-
Arsen'ev, A.S.1
Lomize, A.L.2
Barsukov, I.L.3
Bystrov, V.F.4
-
8
-
-
0042213113
-
+ channel in a bilayer membrane
-
+ channel in a bilayer membrane. Biophys. J. 78:2900-2917.
-
(2000)
Biophys. J.
, vol.78
, pp. 2900-2917
-
-
Berneche, S.1
Roux, B.2
-
9
-
-
0037093650
-
Simulations of ion current in realistic models of ion channels: The KcsA potassium channel
-
Burykin, A., C. N. Schutz, J. Villá, and A. Warshel. 2002. Simulations of ion current in realistic models of ion channels: the KcsA potassium channel. Prot. Struct. Funct. Genet. 43:265-280.
-
(2002)
Prot. Struct. Funct. Genet.
, vol.43
, pp. 265-280
-
-
Burykin, A.1
Schutz, C.N.2
Villá, J.3
Warshel, A.4
-
10
-
-
0031769568
-
Noncontact dipole effects on channel permeation. I. Experiments with (5F-Indole)Trp(13) Gramicidin A channels
-
Busath, D. D., C. D. Thulin, R. W. Hendershot, L. R. Phillips, P. Maughan, C. D. Cole, N. C. Bingham, S. Morrison, L. C. Baird, R. J. Hendershot, M. Cotten, and T. A. Cross. 1998. Noncontact dipole effects on channel permeation. I. Experiments with (5F-Indole)Trp(13) Gramicidin A channels. Biophys. J. 75:2830-2844.
-
(1998)
Biophys. J.
, vol.75
, pp. 2830-2844
-
-
Busath, D.D.1
Thulin, C.D.2
Hendershot, R.W.3
Phillips, L.R.4
Maughan, P.5
Cole, C.D.6
Bingham, N.C.7
Morrison, S.8
Baird, L.C.9
Hendershot, R.J.10
Cotten, M.11
Cross, T.A.12
-
11
-
-
0043239420
-
Threedimensional Poisson-Nernst-Planck theory studies: Influence of membrane electrostatics on Gramicidin A channel conductance
-
Cardenas, A. E., R. D. Coalson, and M. G. Kurnikova. 2000. Threedimensional Poisson-Nernst-Planck theory studies: Influence of membrane electrostatics on Gramicidin A channel conductance. Biophys. J. 79:80-93.
-
(2000)
Biophys. J.
, vol.79
, pp. 80-93
-
-
Cardenas, A.E.1
Coalson, R.D.2
Kurnikova, M.G.3
-
12
-
-
0027157588
-
Charges, currents, and potentials in ionic channels of one conformation
-
Chen, D. P., and R. S. Eisenberg. 1993a. Charges, currents, and potentials in ionic channels of one conformation. Biophys. J. 64:1405-1421.
-
(1993)
Biophys. J.
, vol.64
, pp. 1405-1421
-
-
Chen, D.P.1
Eisenberg, R.S.2
-
13
-
-
0027161999
-
Flux, coupling, and selectivity in ionic channels of one conformation
-
Chen, D. P., and R. S. Eisenberg. 1993b. Flux, coupling, and selectivity in ionic channels of one conformation. Biophys. J. 65:727-746.
-
(1993)
Biophys. J.
, vol.65
, pp. 727-746
-
-
Chen, D.P.1
Eisenberg, R.S.2
-
14
-
-
0032708637
-
Permeation of ions across the potassium channel: Brownian dynamics studies
-
Chung, S. H., T. W. Allen, M. Hoyles, and S. Kuyucak. 1999. Permeation of ions across the potassium channel: Brownian dynamics studies. Biophys. J. 77:2517-2533.
-
(1999)
Biophys. J.
, vol.77
, pp. 2517-2533
-
-
Chung, S.H.1
Allen, T.W.2
Hoyles, M.3
Kuyucak, S.4
-
15
-
-
0029011701
-
A second generation force field for the simulation of proteins, nucleic acids, and organic molecules
-
Cornell, W. D., P. Cieplak, C. I. Bayly, I. R. Gould, K. M. Merz, D. M. Ferguson, D. C. Spellmeyer, T. Fox, J. W. Caldwell, and P. A. Kollman. 1995. A second generation force field for the simulation of proteins, nucleic acids, and organic molecules. J. Am. Chem. Soc. 117:5179-5197.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, 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
-
16
-
-
0035132981
-
Mechanisms of permeation and selectivity in calcium channels
-
Corry, B., T. W. Allen, S. Kuyucak, and S. H. Chung. 2001. Mechanisms of permeation and selectivity in calcium channels. Biophys. J. 80:195-214.
-
(2001)
Biophys. J.
, vol.80
, pp. 195-214
-
-
Corry, B.1
Allen, T.W.2
Kuyucak, S.3
Chung, S.H.4
-
17
-
-
0034033431
-
Tests of continuum theories as models of ion channels. II. Poisson-Nernst-Planck theory versus Brownian dynamics
-
Corry, B., S. Kuyucak, and S. H. Chung. 2000. Tests of continuum theories as models of ion channels. II. Poisson-Nernst-Planck theory versus Brownian dynamics. Biophys. J. 78:2364-2381.
-
(2000)
Biophys. J.
, vol.78
, pp. 2364-2381
-
-
Corry, B.1
Kuyucak, S.2
Chung, S.H.3
-
18
-
-
0035201785
-
Model channel ion currents in NaCl-extended simple point charge water solution with applied-field molecular dynamics
-
Crozier, P. S., D. Henclerson, R. L. Rowley, and D. D. Busath. 2001a. Model channel ion currents in NaCl-extended simple point charge water solution with applied-field molecular dynamics. Biophys. J. 81:3077-3089.
-
(2001)
Biophys. J.
, vol.81
, pp. 3077-3089
-
-
Crozier, P.S.1
Henclerson, D.2
Rowley, R.L.3
Busath, D.D.4
-
19
-
-
0035847858
-
Molecular dynamics simulation of continuous current flow through a model biological membrane channel
-
Crozier, P. S., R. L. Rowley, N. B. Holladay, D. Henderson, and D. D. Busath. 2001b. Molecular dynamics simulation of continuous current flow through a model biological membrane channel. Phys. Rev. Lett. 86:2467-2470.
-
(2001)
Phys. Rev. Lett.
, vol.86
, pp. 2467-2470
-
-
Crozier, P.S.1
Rowley, R.L.2
Holladay, N.B.3
Henderson, D.4
Busath, D.D.5
-
21
-
-
0032989631
-
Exploration of the structural features defining the conduction properties of a synthetic ion channel
-
Dieckmann, G. R., J. D. Lear, Q. F. 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.F.3
Klein, M.L.4
DeGrado, W.F.5
Sharp, K.A.6
-
22
-
-
0030050164
-
A semi-microscopic Monte Carlo study of permeation energetics in a Gramicidin-like channel: The origin of cation selectivity
-
Dorman, V., M. B. Partenskii, and P. C. Jordan. 1996. A semi-microscopic Monte Carlo study of permeation energetics in a Gramicidin-like channel: The origin of cation selectivity. Biophys. J. 70:121-134.
-
(1996)
Biophys. J.
, vol.70
, pp. 121-134
-
-
Dorman, V.1
Partenskii, M.B.2
Jordan, P.C.3
-
23
-
-
0032478818
-
The structure of the potassium channel: Molecular basis of K+ conduction and selectivity
-
Doyle, D. A., J. M. Cabral, R. A. Pfuetzner, J. M. Gulbis, S. L. Cohen, B. T. Chair, and R. MacKinnon. 1998. The structure of the potassium channel: Molecular basis of K+ conduction and selectivity. Science. 280:69-77.
-
(1998)
Science
, vol.280
, pp. 69-77
-
-
Doyle, D.A.1
Cabral, J.M.2
Pfuetzner, R.A.3
Gulbis, J.M.4
Cohen, S.L.5
Chair, B.T.6
MacKinnon, R.7
-
24
-
-
0033199195
-
From structure to function in open ionic channels
-
Eisenberg, R. S. 1999. From structure to function in open ionic channels. J. Membr. Biol. 171:1-24.
-
(1999)
J. Membr. Biol.
, vol.171
, pp. 1-24
-
-
Eisenberg, R.S.1
-
25
-
-
0028901238
-
Sodium in Gramicidin - An example of a permion
-
Elber, R., D. Rojewska, D. P. Chen, and R. S. Eisenberg. 1995. Sodium in Gramicidin - an example of a permion. Biophys. J. 68:906-924.
-
(1995)
Biophys. J.
, vol.68
, pp. 906-924
-
-
Elber, R.1
Rojewska, D.2
Chen, D.P.3
Eisenberg, R.S.4
-
26
-
-
0022816745
-
The dielectric constant of a folded protein
-
Gilson, M. K., and B. H. Honig. 1986. The dielectric constant of a folded protein. Biopolymers. 25:2097-2119.
-
(1986)
Biopolymers
, vol.25
, pp. 2097-2119
-
-
Gilson, M.K.1
Honig, B.H.2
-
27
-
-
0034516442
-
A dynamic lattice Monte Carlo model of ion transport in inhomogeneous dielectric environments: Method and implementation
-
Graf, P., A. Nitzan, M. G. Kurnikova, and R. D. Coalson. 2000. A dynamic lattice Monte Carlo model of ion transport in inhomogeneous dielectric environments: method and implementation. J. Phys. Chem. B. 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
-
30
-
-
0034207477
-
Predicting function from structure using the Poisson-Nernst-Planck equations: Sodium current in the Gramicidin-A channel
-
Hollerbach, U., D. P. Chen, D. D. Busath, and B. Eisenberg. 2000. Predicting function from structure using the Poisson-Nernst-Planck equations: sodium current in the Gramicidin-A channel. Langmuir. 16: 5509-5514.
-
(2000)
Langmuir.
, vol.16
, pp. 5509-5514
-
-
Hollerbach, U.1
Chen, D.P.2
Busath, D.D.3
Eisenberg, B.4
-
31
-
-
0033884302
-
A grand canonical Monte CarloBrownian dynamics algorithm for simulating ion channels
-
Im, W., S. Seefeld, and B. Roux. 2000. A grand canonical Monte CarloBrownian 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
-
32
-
-
0000083584
-
Microscopic simulations of macroscopic dielectric-constants of solvated proteins
-
King, G., F. S. Lee, and A. Warshel. 1991. Microscopic simulations of macroscopic dielectric-constants of solvated proteins. J. Chem. Phys. 95:4366-4377.
-
(1991)
J. Chem. Phys.
, vol.95
, pp. 4366-4377
-
-
King, G.1
Lee, F.S.2
Warshel, A.3
-
33
-
-
0022964504
-
Focusing of electric fields in the active site of Cu-Zn superoxide dismutase: Effects of ionic strength and amino-acid modification
-
Klapper, I., R. Hagstrom, R. Fine, K. Sharp, and B. Honig. 1986. Focusing of electric fields in the active site of Cu-Zn superoxide dismutase: effects of ionic strength and amino-acid modification. Proteins. 1:47-59.
-
(1986)
Proteins
, vol.1
, pp. 47-59
-
-
Klapper, I.1
Hagstrom, R.2
Fine, R.3
Sharp, K.4
Honig, B.5
-
34
-
-
0034521981
-
Calculating structures and free energies of complex molecules: Combining molecular mechanics and continuum models
-
Kollman, P. A., I. Massova, C. Reyes, B. Kuhn, S. H. Huo, L. Chong, M. Lee, T. Lee, Y. Duan, W. Wang, O. Donini, P. Cieplak, J. Srinivasan, D. A. Case, and T. E. Cheatham. 2000. Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models. Acc. Chem. Res. 33:889-897.
-
(2000)
Acc. Chem. Res.
, vol.33
, pp. 889-897
-
-
Kollman, P.A.1
Massova, I.2
Reyes, C.3
Kuhn, B.4
Huo, S.H.5
Chong, L.6
Lee, M.7
Lee, T.8
Duan, Y.9
Wang, W.10
Donini, O.11
Cieplak, P.12
Srinivasan, J.13
Case, D.A.14
Cheatham, T.E.15
-
35
-
-
0032567150
-
Friction coefficients of ions in aqueous solution at 25°C
-
Koneshan, S., R. M. Lynden-Bell, and J. C. Rasaiah. 1998. Friction coefficients of ions in aqueous solution at 25°C. J. Am. Chem. Soc. 120: 12041-12050.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 12041-12050
-
-
Koneshan, S.1
Lynden-Bell, R.M.2
Rasaiah, J.C.3
-
36
-
-
0035542975
-
Bacterial ion channels and their eukaryotic homologues
-
Koprowski, P., and A. Kubalski. 2001. Bacterial ion channels and their eukaryotic homologues. Bioessays. 23:1148-1158.
-
(2001)
Bioessays
, vol.23
, pp. 1148-1158
-
-
Koprowski, P.1
Kubalski, A.2
-
37
-
-
0033032906
-
A lattice relaxation algorithm for three-dimensional Poisson-Nernst-Planck theory with application to ion transport through the Gramicidin-A channel
-
Kurnikova, M. G., R. D. Coalson, P. Graf, and A. Nitzan. 1999. A lattice relaxation algorithm for three-dimensional Poisson-Nernst-Planck theory with application to ion transport through the Gramicidin-A channel. Biophys. J. 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
-
41
-
-
0001200430
-
Solving the finitedifference non-linear Poisson-Boltzmann equation
-
Luty, B. A., M. E. Davis, and J. A. McCammon. 1992. Solving the finitedifference non-linear Poisson-Boltzmann equation. J. Comp. Chem. 13:1114-1118.
-
(1992)
J. Comp. Chem.
, vol.13
, pp. 1114-1118
-
-
Luty, B.A.1
Davis, M.E.2
McCammon, J.A.3
-
42
-
-
0007165005
-
Mobility and solvation of ions in channels
-
Lynden-Bell, R. M., and J. C. Rasaiah. 1996. Mobility and solvation of ions in channels. J. Chem. Phys. 105:9266-9280.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 9266-9280
-
-
Lynden-Bell, R.M.1
Rasaiah, J.C.2
-
43
-
-
0021472805
-
Structure and dynamics of ion-transport through Gramicidin-A
-
Mackay, D. H. J., P. H. Berens, K. R. Wilson, and A. T. Hagler. 1984. Structure and dynamics of ion-transport through Gramicidin-A. Biophys. J. 46:229-248.
-
(1984)
Biophys. J.
, vol.46
, pp. 229-248
-
-
Mackay, D.H.J.1
Berens, P.H.2
Wilson, K.R.3
Hagler, A.T.4
-
44
-
-
0037049999
-
Cardiac channelopathies
-
Marban, E. 2002. Cardiac channelopathies. Nature. 415:213-218.
-
(2002)
Nature
, vol.415
, pp. 213-218
-
-
Marban, E.1
-
45
-
-
0034763324
-
Hierarchical approach to predicting permeation in ion channels
-
Mashl, R. J., Y. Z. Tang, and J. Schnitzer. 2001. Hierarchical approach to predicting permeation in ion channels. Biophys. J. 81:2473-2483.
-
(2001)
Biophys. J.
, vol.81
, pp. 2473-2483
-
-
Mashl, R.J.1
Tang, Y.Z.2
Schnitzer, J.3
-
47
-
-
0034789020
-
Ion channels and their functional role in vascular endothelium
-
Nilius, B., and G. Droogmans. 2001. Ion channels and their functional role in vascular endothelium. Physiol. Rev. 81:1415-1459.
-
(2001)
Physiol. Rev.
, vol.81
, pp. 1415-1459
-
-
Nilius, B.1
Droogmans, G.2
-
48
-
-
0028068829
-
Influence of a channel-forming peptide on energy barriers to ion permeation, viewed from a continuum dielectric perspective
-
Partenskii, M. B., V. Dorman, and P. C. Jordan. 1994. Influence of a channel-forming peptide on energy barriers to ion permeation, viewed from a continuum dielectric perspective. Biophys. J. 67:1429-1438.
-
(1994)
Biophys. J.
, vol.67
, pp. 1429-1438
-
-
Partenskii, M.B.1
Dorman, V.2
Jordan, P.C.3
-
49
-
-
0027069552
-
Theoretical perspectives of ionchannel electrostatics, continuum and microscopic approach
-
Partenskii, M. B., and P. C. Jordan. 1992. Theoretical perspectives of ionchannel electrostatics, continuum and microscopic approach. Quart. Rev. Biophys. 91:477-510.
-
(1992)
Quart. Rev. Biophys.
, vol.91
, pp. 477-510
-
-
Partenskii, M.B.1
Jordan, P.C.2
-
50
-
-
0036536998
-
Theoretical and computational models of ion channels
-
Roux, B. 2002. Theoretical and computational models of ion channels. Curr. Opin. Struct. Biol. 12:182-189.
-
(2002)
Curr. Opin. Struct. Biol.
, vol.12
, pp. 182-189
-
-
Roux, B.1
-
51
-
-
0039179572
-
Ion channels, permeation, and electrostatics: Insight into the function of KcsA
-
Roux, B., S. Berneche, and W. Im. 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
Berneche, S.2
Im, W.3
-
52
-
-
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
-
53
-
-
0033516590
-
+ channel: Electrostatic stabilization of monovalent cations
-
+ channel: electrostatic stabilization of monovalent cations. Science. 285:100-102.
-
(1999)
Science
, vol.285
, pp. 100-102
-
-
Roux, B.1
MacKinnon, R.2
-
54
-
-
0035441903
-
Derivation of Poisson and Nernst-Planck equations in a bath and channel from a molecular model
-
036116
-
Schuss, Z., B. Nadler, and R. S. Eisenberg. 2001. Derivation of Poisson and Nernst-Planck equations in a bath and channel from a molecular model. Phys. Rev. E. 036116:1-14.
-
(2001)
Phys. Rev. E
, pp. 1-14
-
-
Schuss, Z.1
Nadler, B.2
Eisenberg, R.S.3
-
55
-
-
0035451052
-
What axe the dielectric "constants" of proteins and how to validate electrostatic models?
-
Schutz, C. N., and A. Warshel. 2001. What axe the dielectric "constants" of proteins and how to validate electrostatic models? Prot. Struct. Funct. Genet. 44:400-417.
-
(2001)
Prot. Struct. Funct. Genet.
, vol.44
, pp. 400-417
-
-
Schutz, C.N.1
Warshel, A.2
-
56
-
-
0025283002
-
Electrostatic interactions in macromolecules - Theory and applications
-
Sharp, K. A., and B. H. Honig. 1990. Electrostatic interactions in macromolecules - theory and applications. Ann. Rev. Biophys. Biophys. Chem. 19:301-332.
-
(1990)
Ann. Rev. Biophys. Biophys. Chem.
, vol.19
, pp. 301-332
-
-
Sharp, K.A.1
Honig, B.H.2
-
57
-
-
0029833446
-
Charge screening and the dielectric constant of proteins: Insights from molecular dynamics
-
Simonson, T., and C. L. Brooks. 1996. Charge screening and the dielectric constant of proteins: insights from molecular dynamics. J. Am. Chem. Soc. 118:8452-8458.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 8452-8458
-
-
Simonson, T.1
Brooks, C.L.2
-
59
-
-
0033638097
-
Molecular dynamics simulations of the Gramicidin A-dimyristoylphosphatidylcholine system with an ion in the channel pore region
-
Tang, Y. Z., W. Z. Chen, and C. X. Wang. 2000. Molecular dynamics simulations of the Gramicidin A-dimyristoylphosphatidylcholine system with an ion in the channel pore region. Eur. Biophys. J. Biophys. Lett. 29:523-534.
-
(2000)
Eur. Biophys. J. Biophys. Lett.
, vol.29
, pp. 523-534
-
-
Tang, Y.Z.1
Chen, W.Z.2
Wang, C.X.3
-
60
-
-
0035705881
-
Simulation approaches to ion channel structure-function relationships
-
Tieleman, D. P., P. C. Biggin, G. R. Smith, and M. S. P. Sansom. 2001. Simulation approaches to ion channel structure-function relationships. Quart. Rev. Biophys. 34:473-561.
-
(2001)
Quart. Rev. Biophys.
, vol.34
, pp. 473-561
-
-
Tieleman, D.P.1
Biggin, P.C.2
Smith, G.R.3
Sansom, M.S.P.4
-
61
-
-
0033003955
-
ES/IS: Estimation of conformational free energy by combining dynamics simulations with explicit solvent with an implicit solvent continuum model
-
Vorobjev, Y. N., and J. Hermans. 1999. ES/IS: estimation of conformational free energy by combining dynamics simulations with explicit solvent with an implicit solvent continuum model. Biophys. Chem. 78:195-205.
-
(1999)
Biophys. Chem.
, vol.78
, pp. 195-205
-
-
Vorobjev, Y.N.1
Hermans, J.2
-
62
-
-
0021476470
-
Calculations of electrostatic interactions in biological systems and in solutions
-
Warshel, A., and S. T. Russell. 1984. Calculations of electrostatic interactions in biological systems and in solutions. Quart. Rev. Biophys. 17:283-422.
-
(1984)
Quart. Rev. Biophys.
, vol.17
, pp. 283-422
-
-
Warshel, A.1
Russell, S.T.2
-
63
-
-
0030995981
-
The binding site of sodium in the Gramicidin-A channel: Comparison of molecular dynamics with solid-state NMR data
-
Woolf, T. B., and B. Roux. 1997. The binding site of sodium in the Gramicidin-A channel: comparison of molecular dynamics with solid-state NMR data. Biophys. J. 72:1930-1945.
-
(1997)
Biophys. J.
, vol.72
, pp. 1930-1945
-
-
Woolf, T.B.1
Roux, B.2
|