Published May 12, 2021
| Version v2
Software
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Analysis of permeation events in molecular dynamics simulations with lipid bilayer membrane
Description
Analysis scripts which compute and plot the time evolution of the number of water permeation events from Molecular Dynamics trajectories of a lipid bilayer membrane with waterchannels embedded. Details about molecule ID, duration time, time coordinate and direction of translocation events are collected in CSV format. Reference and trajectory files are provided for testing.
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(1.6 GB)
Additional details
Related works
- Compiles
- Journal article: 10.1063/5.0044360 (DOI)
- Journal article: 10.1021/jacs.0c11952 (DOI)