Entropy, Volume 23, Issue 1 (January 2021) – 128 articles
Cover Story (view full-size image): Permeation through a potassium channel is quickly terminated after it opens via selectivity filter inactivation. This process is essential to functioning potassium channels, including bacterial KcsA. We compared the behavior of the wild-type KcsA channel and its mutants using molecular dynamic simulations, identifying residues with distinct properties. By analyzing causal links between rearrangements of these residues and permeating ions, we unraveled a network that acts as a self-organized system in regulating the ion permeation. Changes in one part of the network can lead to an adaptation in other regions, and the network can dynamically switch to an inactive state. View this paper.
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