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    Hydrolysis Mechanism of the Linkers by Matrix Metalloproteinase‑9 Using QM/MM Calculations by Binbin Chen (504446)

    Published 2021
    “…The quantum mechanics/molecular mechanics (QM/MM) calculations herein show that MMP-9 proteolysis is a water-mediated four-step reaction. More specifically, it consists of (i) nucleophilic attack, (ii) hydrogen-bond rearrangement, (iii) proton transfer, and finally (iv) amide bond rupture. …”
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