Ion permeation through the gramicidin channel: Atomically detailed modeling by the stochastic difference equation

Atomically detailed descriptions of ionic solution, membrane, and the gramicidin channel are used to compute molecular dynamics trajectories of ion permeation. The microsecond trajectories are calculated with the Stochastic Difference Equation (SDE), which provides approximate solutions to the equat...

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Veröffentlicht in:	Proteins, structure, function, and bioinformatics structure, function, and bioinformatics, 2003-01, Vol.50 (1), p.63-80
Hauptverfasser:	Siva, Koneshan, Elber, Ron
Format:	Artikel
Sprache:	eng
Schlagworte:	Computational Biology - methods Computer Simulation computer simulations Diffusion functional optimization Gramicidin - chemistry Gramicidin - metabolism Ion Channels - chemistry Ion Channels - metabolism Ion Transport ionic solutions Kinetics Lithium - metabolism long time dynamics membranes Membranes - chemistry Models, Molecular Molecular Structure Motion Potassium - metabolism Sodium - metabolism Solvents - chemistry Static Electricity Stochastic Processes transport Valine - chemistry Water - chemistry
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