Effects of the Nature of Metal Ion, Protein and Substrate on the Catalytic Center in Matrix Metalloproteinase‐1: Insights from Multilevel MD, QM/MM and QM Studies

Abstract The front cover artwork is provided by Dr. Karabencheva‐Christova's group at Michigan Technological University. The image shows the multilevel molecular dynamics (MD), quantum mechanics/molecular mechanics (QM/MM) and quantum mechanics (QM) study on matrix metalloproteinase‐1 (MMP‐1). Read the full text of the Article at 10.1002/cphc.202100680 .