-
1
-
-
10344245541
-
On the importance of atomic fluctuations, protein flexibility and solvent in ion permeation
-
Allen, T.W., O.S. Andersen, and B. Roux. 2004. On the importance of atomic fluctuations, protein flexibility and solvent in ion permeation. J. Gen. Physiol.124:679-690.
-
(2004)
J. Gen. Physiol
, vol.124
, pp. 679-690
-
-
Allen, T.W.1
Andersen, O.S.2
Roux, B.3
-
2
-
-
0344796204
-
Ion water interaction potential derived from free energy perturbation simulations
-
Åqvist, J. 1990. Ion water interaction potential derived from free energy perturbation simulations. J. Phys. Chem. 94:8021-8024.
-
(1990)
J. Phys. Chem
, vol.94
, pp. 8021-8024
-
-
Åqvist, J.1
-
3
-
-
0034690250
-
Ion permeation mechanism of the potassium channel
-
Åqvist, J., and V. Luzhkov. 2000. Ion permeation mechanism of the potassium channel. Nature. 404:881-884.
-
(2000)
Nature
, vol.404
, pp. 881-884
-
-
Åqvist, J.1
Luzhkov, V.2
-
4
-
-
33746094645
-
Role of fluctuations in a snug-fit mechanism of KcsA channel selectivity
-
Asthagiri, D., L.R. Pratt, and M.E. Paulaitis. 2006. Role of fluctuations in a snug-fit mechanism of KcsA channel selectivity. J. Chem. Phys. 125:24701.
-
(2006)
J. Chem. Phys
, vol.125
, pp. 24701
-
-
Asthagiri, D.1
Pratt, L.R.2
Paulaitis, M.E.3
-
6
-
-
17044400911
-
A gate in the selectivity filter of potassium channels
-
Bernèche, S., and B. Roux. 2005. A gate in the selectivity filter of potassium channels. Struc. 13:591-600.
-
(2005)
Struc
, vol.13
, pp. 591-600
-
-
Bernèche, S.1
Roux, B.2
-
7
-
-
0015424492
-
Negative conductance caused by entry of sodium and cesium ions into the potassium channels of squid axons
-
Bezanilla, F., and C.M. Armstrong. 1972. Negative conductance caused by entry of sodium and cesium ions into the potassium channels of squid axons. J. Gen. Physiol. 60:588-608.
-
(1972)
J. Gen. Physiol
, vol.60
, pp. 588-608
-
-
Bezanilla, F.1
Armstrong, C.M.2
-
8
-
-
84986512474
-
CHARMM: A program for macromolecular energy minimization and dynamics calculations
-
Brooks, B.R., R.E. Bruccoleri, B.D. Olafson, D.J. States, S. Swaminathan, and M. Karplus. 1983. CHARMM: a program for macromolecular energy minimization and dynamics calculations. J. Comput. Chem. 4:187-217.
-
(1983)
J. Comput. Chem
, vol.4
, pp. 187-217
-
-
Brooks, B.R.1
Bruccoleri, R.E.2
Olafson, B.D.3
States, D.J.4
Swaminathan, S.5
Karplus, M.6
-
9
-
-
0029011701
-
A second generation force field for the simulation of proteins and nucleic acids
-
Cornell, W.D., P. Cieplak, C.I. Bayly, I.R. Gould, K.M. Merz Jr, 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 and nucleic acids. 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 Jr, K.M.5
Ferguson, D.M.6
Spellmeyer, D.C.7
Fox, T.8
Caldwell, J.W.9
Kollman, P.A.10
-
10
-
-
33845378831
-
Coordination chemistry of alkali and alkaline-earth cations with macrocyclic ligands
-
Dietrich, B. 1985. Coordination chemistry of alkali and alkaline-earth cations with macrocyclic ligands. J. Chem. Edu. 62:954-964.
-
(1985)
J. Chem. Edu
, vol.62
, pp. 954-964
-
-
Dietrich, B.1
-
11
-
-
0032478818
-
+ conduction and selectivity
-
+ 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
Kuo, A.4
Gulbis, J.M.5
Cohen, S.L.6
Chait, B.T.7
MacKinnon, R.8
-
12
-
-
73049154846
-
Cation selective electrodes and their mode of operation
-
Eisenman, G. 1962. Cation selective electrodes and their mode of operation. Biophys. J. 2:259-323.
-
(1962)
Biophys. J
, vol.2
, pp. 259-323
-
-
Eisenman, G.1
-
13
-
-
33645961739
-
A smooth particle mesh ewald method
-
Essmann, U., L. Perera, M. Berkowitz, T. Darden, H. Lee, and L. Pedersen. 1995. A smooth particle mesh ewald method. J. Chem. Physiol. 103:8577-8593.
-
(1995)
J. Chem. Physiol
, vol.103
, pp. 8577-8593
-
-
Essmann, U.1
Perera, L.2
Berkowitz, M.3
Darden, T.4
Lee, H.5
Pedersen, L.6
-
14
-
-
36449007836
-
Constant pressure molecular dynamics simulation - the Langevin piston method
-
Feller, S., Y. Zhang, R. Pastor, and B. Brooks. 1995. Constant pressure molecular dynamics simulation - the Langevin piston method. J. Chem. Phys. 103:4613-4621.
-
(1995)
J. Chem. Phys
, vol.103
, pp. 4613-4621
-
-
Feller, S.1
Zhang, Y.2
Pastor, R.3
Brooks, B.4
-
16
-
-
0004016501
-
Comparison of simple potential functions for simulating liquid water
-
Jorgensen, W.L., J. Chandrasekhar, J.D. Madura, R.W. Impey, and M.L. Klein. 1983. Comparison of simple potential functions for simulating liquid water. J. Chem. Phys. 79:926-935.
-
(1983)
J. Chem. Phys
, vol.79
, pp. 926-935
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
17
-
-
7044239742
-
Free energy calculations: Applications to chemical and biochemical phenomena
-
Kollman, P.A. 1993. Free energy calculations: applications to chemical and biochemical phenomena. Chem. Rev. 93:2395-2417.
-
(1993)
Chem. Rev
, vol.93
, pp. 2395-2417
-
-
Kollman, P.A.1
-
18
-
-
0041784950
-
All-atom empirical potential for molecular modeling and dynamics studies of proteins
-
MacKerell, A.D.J., D. Bashford, M. Bellot, R.L. Dunbrack, J.D. Evanseck, M.J. Field, S. Fischer, J. Gao, H. Guo, D.J.-M.S. Ha, et al. 1998. All-atom empirical potential for molecular modeling and dynamics studies of proteins. J. Phys. Chem. B 102:3586-3616.
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 3586-3616
-
-
MacKerell, A.D.J.1
Bashford, D.2
Bellot, M.3
Dunbrack, R.L.4
Evanseck, J.D.5
Field, M.J.6
Fischer, S.7
Gao, J.8
Guo, H.9
Ha, D.J.-M.S.10
-
19
-
-
7244251461
-
Control of ion selectivity in potassium channels by electrostatic and dynamic properties of carbonyl ligands
-
Noskov, S.Y., S. Bernèche, and B. Roux. 2004. Control of ion selectivity in potassium channels by electrostatic and dynamic properties of carbonyl ligands. Nature. 431:830-834.
-
(2004)
Nature
, vol.431
, pp. 830-834
-
-
Noskov, S.Y.1
Bernèche, S.2
Roux, B.3
-
20
-
-
33750609826
-
Ion selectivity in potassium channels
-
Noskov, S.Y., and B. Roux. 2006. Ion selectivity in potassium channels. Biophys. Chem. 124:279-291.
-
(2006)
Biophys. Chem
, vol.124
, pp. 279-291
-
-
Noskov, S.Y.1
Roux, B.2
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