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.