[1]
|
Steed, I.W. and Atwood, J.L. (2000) Supramolecular chemistry. Wiley.
|
[2]
|
Doyle, D.A., Cabral, J.M., Pfuetzner, R.A., Kuo, A., Gulbis, J.M., Cohen, S.L., Chait, B.T. and MacKinnon, R. (1998) The structure of the potassium channel: Molecular basis of K+ conduction and selectivity. Science, 280 (5360), 69-77.
|
[3]
|
Forester, T., Smith, W. and Clarke, H.R. (1997) Antibiotic activity of valinomycin. Journal of the Chemical Society Faraday Transactions, 93(4), 613-661.
|
[4]
|
Ye, Q., Vincze, A., Horvai, G. and Leermakers, F.A.M. (1998) Partial blocking of ion transport at the interface of an ion-selective liquid membrane electrode by neutral surfactants. Experiment and computer simulations. Electrochimica Acta, 44(1), 125-132.
|
[5]
|
Marrone, T.J. and Kenneth, M.M., Jr. (1995) Molecular Recognition of K+ and Na+ by valinomycin in methanol. Journal of American Chemical Society, 117(2), 779-791.
|
[6]
|
Alberts, B., Bray, D., Lewis, J., Raff, M., Roberts K. and Watson, Y.D. (1994) Molecular biology of the cell. Garland Publishing, A member of the Taylor & Francis Group, New York.
|
[7]
|
Smith, W. and Forester, T. (1996) DL_POLY_2.0: A general-purpose parallel molecular dynamics simulation package. Journal of Molecular Graphics, 14(3), 136-141.
|
[8]
|
Varma, S., Sabo, D. and Rempe, S.B. (2008) K+/Na+ selectivity in K-channels and valinomycin: Over-coordination vs cavity-size constraints. Journal of Molecular Biology, 376(1), 13-22.
|
[9]
|
Forester, T.R., Smith, W. and Clarke, J.H.R. (1995) Capture of potassium ions by valinomycin: A molecular dynamics simulation study. Journal of Physical Chemistry, 99(39), 14418-14423.
|
[10]
|
Eisenman, G., Alvarez, O. and Aqvist, J. (1992) Free energy perturbation simulations of cation binding to valinomycin. Journal of Inclusion Phenomena and Macrocyclic Chemistry, 12(1-4), 23-53.
|
[11]
|
Smith, W., Forester, T.R. and Todorov, I.T. (2008) The DL poly 2 user manual. STFC Daresbury Laboratory Daresbury, Warrington WA4 4AD Cheshire, UK, Version 2.19.
|
[12]
|
van Veggel, C.J.M.F., van Duynhoven, J.P.M., Harkema, S., Wolbers, M.P.O. and Reinhoudt, D.N. (1996) Solid- state structure, dynamical properties in solution and com- putational studies of a new sodium hemispherand comples. Journal of the Chemical Society Perkin Transactions, 2, 449-454.
|
[13]
|
Eisenman, G., Aqvist, J. and Alvarez, O. (1991) Free energies underlying ion binding and transport in protein channels: Free energy perturbation simulations of ion binding and selectivity for valinomycin. Journal of the Chemical Society Faraday Transactions, 87, 2099-2109.
|
[14]
|
Eisenman, G. and Alvarez, O. (1992) Ionic selectivity of proteins: Lessons from molecular dynamics simulations on valinomycin. In: Gaber, B.P. and Easwaran, K.R.K., Eds., Biomembrane Structure and Function - The State of the Art, Adenine Press, 321-351.
|
[15]
|
Neilson, G.W., Mason, P.E., Ramos, S. and Sullivan, D. (2001) Neutron and X-ray scattering studies of hydration in aqueous solutions. Philosophical Transactions of the Royal Society A, 359, 1575-1591.
|
[16]
|
Shrivastava, I.H., Tieleman, D.P., Biggin, P.C. and Sansom, M.S.P. (2002) K(+) versus Na(+) ions in a K channel selectivity filter: A simulation study. Biophysical Journal, 83(2), 633-645.
|
[17]
|
Soper, A.K. and Weckstrom, K. (2006) Ion solvation and water structure in potassium halide aqueous solutions. Biophysical Chemistry, 124(3), 180-191; 39, 1023-1029.
|