Cover Picture: Probing Polyoxometalate-Protein Interactions Using Molecular Dynamics Simulations (Chem. Eur. J. 43/2016)

Direct atomistic insight into the interactions between polyoxometalates (POMs) and proteins is obtained with molecular dynamics simulations. The affinity of POMs to a protein depends on their composition; low hydrophilicity and the right shape for establishing interactions with several residues enhance the affinity. This affinity is represented in the picture by a solar system. More information can be found in the Full Paper by J. J. Carbó et al. on page 15280 ff. Direct atomistic insight into the interactions between polyoxometalates (POMs) and proteins is obtained with molecular dynamics simulations. The affinity of POMs to a protein depends on their composition; low hydrophilicity and the right shape for establishing interactions with several residues enhance the affinity. This affinity is represented in the picture by a solar system. More information can be found in the Full Paper by J. J. Carbó et al. on page 15280 ff.