On the controversy of metal ion composition on amine oxygenase (AurF): a computational investigation

Prabha Jayapal, Gopalan Rajaraman
  • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry
  • DOI: 10.1039/c2cp40874k

Can metal-ion composition be determined from DFT calculations for enzymes?

What is it about?

Probing the nature of metal ions in dinuclear metallenzymes are challenging and here we offer a simple and lucid energetics-spectroscopic approach to determine the nature of the metal ions in enzyme with AurF as a benchmark

The following have contributed to this page: Gopalan Rajaraman