Unraveling the Molecular Structure of the Catalytic Domain of Matrix Metalloproteinase-2 in Complex with a Triple-Helical Peptide by Means of Molecular Dynamics Simulations

Part of the simulation work was carried out at the Barcelona Supercomputing Center−Centro Nacional de Supercomputacion (BSC−CNS), and we gratefully acknowledge the computer resources, technical expertise, and assistance provided by the BSC−CNS.

Repositorio Institucional de la Universidad de Oviedo

Unraveling the Molecular Structure of the Catalytic Domain of Matrix Metalloproteinase-2 in Complex with a Triple-Helical Peptide by Means of Molecular Dynamics Simulations

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