engleski

Recent results from computer simulations of membrane channels and pumps

The present review reports on recent progress in modeling and simulation of biological ion channels and proton pumps. In particular, we describe the current approaches and results concerning permeation and selectivity of ion channels. This is demonstrated mainly at the example of a potassium ion channel. In the case of proton pumping across lipid membranes we report on recent results from computer simulation of bacteriorhodopsin. The distribution of internal water and the structure and dynamics of hydrogen-bonded networks inside bacteriorhodopsin are discussed.

membrane channels, membrane pumps, molecular dynamics symulations, bacteriorhodopsin

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