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(a) Distance between the centroid of the Tyr151 aromatic system (Y151-s) and the carbon of the guanidine moiety of Arg17 (R17-CZ) in the unbiased simulations of the fully bound state (solid line) and the prebound state (dashed lines). (b) RAMD dissociation trajectories of one replica of the R17A mutant of the Abu-BPTI variant.
