Structural and dynamical characterization of the S4 state of the Kok-Joliot’s cycle by means of QM/MM Molecular Dynamics Simulations
Matteo Capone, Leonardo Guidoni, Daniele Narzi
Topics & Concepts
Molecular dynamicsPhotosystem IIChemistryOxygen-evolving complexQM/MMChemical physicsOxygen evolutionCharacterization (materials science)CatalysisPhotosynthesisComputational chemistryPhysical chemistryMaterials scienceNanotechnologyBiochemistryElectrochemistryElectrodePhotosynthetic Processes and MechanismsSpectroscopy and Quantum Chemical StudiesPhotoreceptor and optogenetics research