TY  - GEN
AU  - David,Rolf
AU  - Jamet,Hélène
AU  - Nivière,Vincent
AU  - Moreau,Yohann
AU  - Milet,Anne
TI  - Iron Hydroperoxide Intermediate in Superoxide Reductase: Protonation or Dissociation First? MM Dynamics and QM/MM Metadynamics Study
SN  - 1549-9626
PY  - 2018///0412
KW  - Catalytic Domain
KW  - Ferric Compounds
KW  - metabolism
KW  - Hydrogen Bonding
KW  - Hydrogen Peroxide
KW  - chemistry
KW  - Molecular Dynamics Simulation
KW  - Oxidoreductases
KW  - Proteobacteria
KW  - enzymology
KW  - Protons
KW  - Quantum Theory
KW  - Thermodynamics
N1  - Publication Type: Journal Article
UR  - https://doi.org/10.1021/acs.jctc.7b00126
ER  -