Iron Hydroperoxide Intermediate in Superoxide Reductase: Protonation or Dissociation First? MM Dynamics and QM/MM Metadynamics Study-Reference-Cited by-同舟云学术

Iron Hydroperoxide Intermediate in Superoxide Reductase: Protonation or Dissociation First? MM Dynamics and QM/MM Metadynamics Study

Author:

David Rolf¹²³^ORCID,Jamet Hélène¹²,Nivière Vincent⁴,Moreau Yohann³,Milet Anne¹²^ORCID

Affiliation:

1. DCM, Univ. Grenoble Alpes, F-38000 Grenoble, France

2. CNRS, DCM, F-38000, Grenoble, France

3. Laboratoire de Chimie et Biologie des Métaux, CEA/DRF/BIG/CBM/MCT, CNRS UMR 5249, Université Grenoble Alpes, Grenoble, France

4. Laboratoire de Chimie et Biologie des Métaux, CEA/DRF/BIG/CBM/BioCat, CNRS UMR 5249, Université Grenoble Alpes, Grenoble, France

Funder

Agence Nationale de la Recherche

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

Reference106 articles.

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