A barrier-flattening Hamiltonian replica-exchange method accelerates Mg²⁺ inner-shell binding to RNA by orders of magnitude, and a local cryo-EM reweighting framework validates individual binding motifs site-by-site.
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Enhanced sampling and cryo-EM data resolve magnesium binding to RNA
A barrier-flattening Hamiltonian replica-exchange method accelerates Mg²⁺ inner-shell binding to RNA by orders of magnitude, and a local cryo-EM reweighting framework validates individual binding motifs site-by-site.