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Interaction of Na+ Ion With the Solvated Gramicidin A Transmembrane Channel

Kwang S. Kim ; IBM Corporation Department 48B Mail Station 428 Neighborhood Road Kingston, N. Y. 12401
D. P. Vercauteren ; IBM Corporation Department 48B Mail Station 428 Neighborhood Road Kingston, N. Y. 12401
M. Welti ; IBM Corporation Department 48B Mail Station 428 Neighborhood Road Kingston, N. Y. 12401
S. L. Fornili ; IBM Corporation Department 48B Mail Station 428 Neighborhood Road Kingston, N. Y. 12401
E. Clementi ; IBM Corporation Department 48B Mail Station 428 Neighborhood Road Kingston, N. Y. 12401

Puni tekst: engleski, pdf (7 MB) str. 369-381 preuzimanja: 78* citiraj
APA 6th Edition
Kim, K.S., Vercauteren, D.P., Welti, M., Fornili, S.L. i Clementi, E. (1986). Interaction of Na+ Ion With the Solvated Gramicidin A Transmembrane Channel. Croatica Chemica Acta, 59 (2), 369-381. Preuzeto s https://hrcak.srce.hr/177364
MLA 8th Edition
Kim, Kwang S., et al. "Interaction of Na+ Ion With the Solvated Gramicidin A Transmembrane Channel." Croatica Chemica Acta, vol. 59, br. 2, 1986, str. 369-381. https://hrcak.srce.hr/177364. Citirano 04.03.2021.
Chicago 17th Edition
Kim, Kwang S., D. P. Vercauteren, M. Welti, S. L. Fornili i E. Clementi. "Interaction of Na+ Ion With the Solvated Gramicidin A Transmembrane Channel." Croatica Chemica Acta 59, br. 2 (1986): 369-381. https://hrcak.srce.hr/177364
Harvard
Kim, K.S., et al. (1986). 'Interaction of Na+ Ion With the Solvated Gramicidin A Transmembrane Channel', Croatica Chemica Acta, 59(2), str. 369-381. Preuzeto s: https://hrcak.srce.hr/177364 (Datum pristupa: 04.03.2021.)
Vancouver
Kim KS, Vercauteren DP, Welti M, Fornili SL, Clementi E. Interaction of Na+ Ion With the Solvated Gramicidin A Transmembrane Channel. Croatica Chemica Acta [Internet]. 1986 [pristupljeno 04.03.2021.];59(2):369-381. Dostupno na: https://hrcak.srce.hr/177364
IEEE
K.S. Kim, D.P. Vercauteren, M. Welti, S.L. Fornili i E. Clementi, "Interaction of Na+ Ion With the Solvated Gramicidin A Transmembrane Channel", Croatica Chemica Acta, vol.59, br. 2, str. 369-381, 1986. [Online]. Dostupno na: https://hrcak.srce.hr/177364. [Citirano: 04.03.2021.]

Sažetak
A 6-12-1 atom-atom pair potential for the interaction of a Na+ion with gramicidin A (GA) has been derived from ab initio SCF calculations on the intermolecular interaction energies between one Na+ion and GA molecular fragments. This potential has been used to obtain iso-energy maps, which in turn provide an energy profile of the Na+ion in the GA channel. We have applied this potential in Monte Carlo simulations in order to obtain i) the number of water molecules which can be placed inside the GA channel and ii) the hydration structures of the GA channel in the presence of one Na+ion.

Hrčak ID: 177364

URI
https://hrcak.srce.hr/177364

Posjeta: 153 *