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• W2000646070 abstract "Using the previously reported ab initio interaction energies among K+, Na+, water, and Gramicidin A (GA), this report presents Monte Carlo simulations for the microscopic effect of an applied voltage (0.5 V/32 Å) on a solvated gramicidin. The reorientation of water molecules due to the applied voltage is found to be marginal for both cations. The energy contribution due to water dipoles was within 10% of the total energy contribution due to the applied voltage. Inside the channel the total energy contribution varied almost linearly along the channel axis; outside the channel the slope of the total energy contribution with respect to the channel axis decreased." @default.
• W2000646070 created "2016-06-24" @default.
• W2000646070 creator A5091615384 @default.
• W2000646070 date "1985-06-01" @default.
• W2000646070 modified "2023-09-25" @default.
• W2000646070 title "Microscopic effect of an applied voltage on the solvated gramicidin a transmembrane channel in the presence of Na+ and K+ cations" @default.
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• W2000646070 doi "https://doi.org/10.1002/jcc.540060313" @default.
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