Microscopic effect of an applied voltage on the solvated gramicidin a transmembrane channel in the presence of Na+ and K+ cations
✍ Scribed by Kwang S. Kim
- Publisher
- John Wiley and Sons
- Year
- 1985
- Tongue
- English
- Weight
- 710 KB
- Volume
- 6
- Category
- Article
- ISSN
- 0192-8651
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✦ Synopsis
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 A) 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.