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Article . 2019
License: CC BY
Data sources: Datacite
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Article . 2019
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50ps_double_system_MD

Authors: Rayevsky Alexey;

50ps_double_system_MD

Abstract

A supplementary material is represented with a video file (50ps_double_system_MD.avi), which contains a double membrane system with two copies of Nav1.5 protein inserted in the membranes. The slice of a molecular dynamics simulation was derived after 55 ns of a CompEl handled molecular dynamics, which followed a relaxation period of 80 ns. It was cut after the entire equilibration of the system and the beginning of the ion swapping. The combination of 50 ps repeats and change of camera views demonstrates the trend of the motion and allows to address the details of the process, when 2 Na+ ions are moving across the membrane. It confirms some conclusions suggested within the paper, for example, in the absence of the Bupivacaine molecule the ion flow can be observed through the opened sieve of “DEKA” residues, while in the presence of the LA the ion is getting stuck in the plane of the “DEKA” ring. The file can be opened in a Pymol or VMD visualizers.

Keywords

sodium voltage-gated channel alpha subunit 5, voltage sensitive domains, local anaesthetic, computational electrophysiology, molecular dynamics

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This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
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