David, Rolf <br/><br/>
Iron Hydroperoxide Intermediate in Superoxide Reductase: Protonation or Dissociation First? MM Dynamics and QM/MM Metadynamics Study.  [electronic resource] 

 -  Journal of chemical theory and computation  Jun 2017 
 - 2987-3004 p.  digital 
<br/><br/> Publication Type: Journal Article 
<br/><br/><label>ISSN: </label>1549-9626 
<br/><br/><label>Standard No.: </label>10.1021/acs.jctc.7b00126  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Catalytic Domain<br/>Ferric Compounds--metabolism<br/>Hydrogen Bonding<br/>Hydrogen Peroxide--chemistry<br/>Molecular Dynamics Simulation<br/>Oxidoreductases--chemistry<br/>Proteobacteria--enzymology<br/>Protons<br/>Quantum Theory<br/>Thermodynamics