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Molecular dynamics simulations with grand-canonical reweighting suggest cooperativity effects in RNA structure probing experiments

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Molecular dynamics simulations of an RNA GAAA tetraloop interacting with SHAPE reagent 1-Methyl-7-nitroisatoic anhydride (1m7) in different numer of copies (1 to 19). See also https://arxiv.org/abs/2209.12640 and https://github.com/bussilab/paper-shapemd.

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2022-10-04
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