Conformational ensembles of non-peptide ω-conotoxin mimetics and Ca⁺² ion binding to human voltage-gated N-type calcium channel Ca_v2.2.

The apo-Ca v 2.2 and Ca 2+ -bound Ca v 2.2 attained a stable state within a range of 11–15 nm whereas, C1-bound Ca v 2.2 demonstrated an increasing trend in the RMSD profile (18–19 nm).

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The apo-Ca v 2.2 exhibited a decreasing trend in Rg values from 56.74 Å to 52.5 Å, highlighting the compactness of system at 40 ns onwards.

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