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Variations in the binding pocket volumes (A) and HBond numbers (B) in MD A, Variations in the binding pocket volumes; LnRCR is indicated by purple lines, and LnRCRS154K is indicated by blue lines B, HBond numbers in MD; the maximum number of hydrogen bonds formed in a specific time frame (ns) have been shaded. LnRCR is shown in dark grey shade, and LnRCRS154K is shown in grey shade.
