E-mail a Wiley Online Library Link

Yvonne Rippers, Marius Horch, Prof. Peter Hildebrandt, Dr. Ingo Zebger and Prof. Maria Andrea Mroginski Revealing the Absolute Configuration of the CO and CN− Ligands at the Active Site of a [NiFe] Hydrogenase ChemPhysChem 13

Version of Record online: 3 SEP 2012 | DOI: 10.1002/cphc.201200562

Thumbnail image of graphical abstract

Absolutely trans: Combined molecular dynamics (MD) and quantum mechanical/molecular mechanical (QM/MM) calculations are performed on the crystal structure of the reduced membrane-bound [NiFe] hydrogenase (MBH) from Ralstonia eutropha to determine the absolute configuration of the CO and the two CN ligands bound to the active-site iron of the enzyme, revealing the absolute configuration at the iron atom (see picture).

Complete the form below and we will send an e-mail message containing a link to the selected article on your behalf

Required = Required Field