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. 2021 Aug 6;153(9):e202112875. doi: 10.1085/jgp.202112875

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© 2021 Li et al.

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Figure 2. — TMD simulation drives the intracellular gate of the Shaker channel open progressively in a stepwise manner.(A) Overlap the K_v1.2/K_v2.1 structure with KcsA structures, to show how to trigger further opening of the intracellular gate by using two KcsA structures (PDB accession nos. 3F7V and 3F5W) as references. (B) Stepwise bias MD simulations to trigger gate opening. The first 100-ns simulation is performed by using 3F7V as a target reference. The second 100-ns simulation is performed by using 3F5W as target reference. dist, distance.