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Explicit-solvent molecular dynamics simulations (3.6-ns duration) of the stem peptide of human MT6-MMP. A, the sequence in the cysteine-rich stretch is given, and the requisite distances d1, d2, and d3 define the positions of the side-chain sulfur atoms of the given cysteine residues. Changes of the distances d1 (B), d2 (C), and d3 (D) as a function of the simulation time are indicated.
