Data files for computational electrophysiology simulations on HcKCR1_C110A
收藏Figshare2024-12-21 更新2026-04-08 收录
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https://figshare.com/articles/dataset/Data_files_for_computational_electrophysiology_simulations_on_HcKCR1_C110A/27292005/1
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资源简介：
Structures and input files used for performing computational electrophysiology simulations on HcKCR1_C110A. The description of each folder is as follows:input-structures - models of dark-adapted and laser-flash-illuminated structurestopology - forcefield parameters of retinal, protein, lipids, water, potassium, and chloride ionstrajectory-mdp-files - input files used to run computational electrophysiology simulationstrajectory-output-files - representative trajectories showing ion permeation through the channel (monitor POT8698 and POT387 for outward and inward permeations, respectively)RMSD - data files and script to analyze RMSD variation of the protein backbone atoms
提供机构：
Dogon, Tal; Schapiro, Igor; Nag, Probal
创建时间：
2024-12-21
