Molecular mechanism of myoglobin autoxidation: Insights from computer simulations

Myoglobin (Mb) and hemoglobin have the biological ability to carry/store oxygen (O2), a property which requires its heme iron atom to be in the ferrous -Fe(II)- state. However, the thermodynamically stable state in the presence of O2 is Fe(III) and thus the oxidation rate of a globin is a critical p...

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Detalles Bibliográficos
Autores principales: Arcon, J.P., Rosi, P., Petruk, A.A., Marti, M.A., Estrin, D.A.
Formato: JOUR
Materias:
Amino acids
Hemoglobin
Hydrogen bonds
Iron compounds
Oxygen
Porphyrins
Protonation
Rate constants
Acid catalysis
Basic mechanism
Hydroxide anions
Molecular mechanism
Oxidation rates
Simulation methodology
State of the art
Thermodynamically stable
Oxidation
heme
myoglobin
oxygen
catalysis
chemistry
computer simulation
genetics
hydrogen bond
metabolism
molecular dynamics
mutation
oxidation reduction reaction
quantum theory
thermodynamics
Catalysis
Computer Simulation
Heme
Hydrogen Bonding
Molecular Dynamics Simulation
Mutation
Myoglobin
Oxidation-Reduction
Quantum Theory
Thermodynamics
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_10895639_v119_n5_p1802_Arcon
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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