Effects of active-center reduction of plant-type ferredoxin on its structure and dynamics: computational analysis using molecular_dynamics_simulations

HIGHLIGHTS

  • who: MDPI from the Graduate School of Information Sciences, Hiroshima City University, Ozukahigashi, Hiroshima, Japan have published the research work: Effects of Active-Center Reduction of Plant-Type Ferredoxin on Its Structure and Dynamics: Computational Analysis Using Molecular_Dynamics_Simulations, in the Journal: (JOURNAL)
  • what: This study shows that the normal NPT MD simulations with appropriate force_field parameters can be used to obtain the structures of reduced Fds from the experimental structures of oxidized Fds. The computational results in this study provide information about the enhancement or weakening of the and_[OHu2026S] hydrogen_bonds upon active-site reduction . . .

     

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