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Published December 15, 2021 | Version v1
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Differential interactions of closed, open, and desensitized states of the α7 nicotinic acetylcholine receptor with lipidic modulators

  • 1. Stockholm University

Description

Molecular dynamics simulations of the alpha-7 nicotinic receptor, both atomistic (ion permeation free energy calculation) and coarse-grained (lipid and drug binding). 

Notes

Two amino residues were incorrectly assigned in the original PDB file. N35 should be S35; P111 should be S111. However, given they are neither inside the TMD region---affecting the lipid binding---nor facing toward to pore---affecting the ion permeation, the results in this manuscript remain intact. Control experiments have been performed.

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