Published December 15, 2021
| Version v2
Journal article
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Differential interactions of resting, activated, and desensitized states of the α7 nicotinic acetylcholine receptor with lipidic modulators
- 1. Stockholm University
- 2. University of Texas Southwestern Medical Center
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.