Cover Image, Volume 39, Issue 1

Photosystem II uses the energy of absorbed light and cofactor molecules to catalyze the splitting of water molecules into molecular oxygen, protons and electrons. To perform reliable all‐atom simulations, accurate force field parameters are necessary. On page 7, Ana‐Nicoleta Bondar and colleagues derive parameters for the two iron‐containing cofactor complexes of photosystem II. Simulations of neuroglobin demonstrate that these parameters allow an accurate description of the bis‐histidine‐coordinated heme moiety. (DOI: 10.1002/jcc.24918 )