Published May 10, 2023
| Version v1
Journal article
Open
Interplay between VSD, pore and membrane lipids in electromechanical coupling in HCN channels
Creators
- 1. Department of Applied Physics of Science for Life Laboratory, KTH Royal Institute of Technology, Sweden
- 2. Center for Investigation of Membrane Excitability Diseases, Department of Anesthesiology, Washington University School of Medicine, St Louis, MO, USA
Description
MD simulation of human HCN1 channel:
Equilibrium MD were performed for the resting, intermediate and activated states. The channel remained closed in these MD simulations.
Activating conditions (usage of a negative electric field) were used to induce activation on 2 resting state systems: i) a system omitting the HCN domain and ii) a system including the HCN domain. In these simulations partial activation was observed and channels remained closed
Adiabatic Biased MD were performed starting from the resting/closed (R1 and R2) and activated/closed (A1 and A2). Channel opening is induced in these simulations.
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