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HYSCORE and QM/MM Studies of Second Sphere Variants of the Type 1 Copper Site in Azurin: Influence of Mutations on the Hyperfine Couplings of Remote …
Secondary coordination sphere (SCS) interactions have been shown to play important roles
in tuning reduction potentials and electron transfer (ET) properties of the Type 1 copper …
in tuning reduction potentials and electron transfer (ET) properties of the Type 1 copper …
Structure-driven development of a biomimetic rare earth artificial metalloprotein
The 2011 discovery of the first rare earth–dependent enzyme in methylotrophic
Methylobacterium extorquens AM1 prompted intensive research toward understanding the …
Methylobacterium extorquens AM1 prompted intensive research toward understanding the …
Revisiting Oxygen Transport Features of Hemocyanin with NEVPT2 Level QM/MM Calculations
This study explores the oxygen-binding mechanism and the potential peroxo-to-bis-μ-oxo
isomerization in hemocyanin (Hc) using a quantum mechanics/molecular mechanics …
isomerization in hemocyanin (Hc) using a quantum mechanics/molecular mechanics …
Secondary Coordination Effects of Adjacent Metal Center in Metal–Nitrogen-Carbon Improve Scaling Relation of Oxygen Electrocatalysis
Heterogenous single-atom catalysts (SACs) are reminiscent of homogeneous catalysts
because of the similarity of structural motif of active sites, showing the potential of using the …
because of the similarity of structural motif of active sites, showing the potential of using the …
Theoretical insights into the reduction of Azurin metal site with unnatural amino acid substitutions
Copper-containing proteins play crucial roles in biological systems. Azurin is a copper-
containing protein which has a Type 1 copper site that facilitates electron transfer in the …
containing protein which has a Type 1 copper site that facilitates electron transfer in the …
1H HYSCORE Studies of Second Sphere Variants of the Type 1 Copper Site in Azurin: Influence of Mutations on the Hyperfine Couplings of Cys112 CβH2 Protons
In this work, we examined the influence of F114P, F114N, and N47S mutations on the
electronic structure of the T1 copper center in azurin (Az) by studying the hyperfine …
electronic structure of the T1 copper center in azurin (Az) by studying the hyperfine …
Adjacent Axial Ligand Enables Secondary Coordination Effects in Metal-Nitrogen-Carbon Towards Improved Scaling Relation of Oxygen Electrocatalysis
Heterogenous single-atom catalysts (SACs) are reminescent of homogenous catalysts
because of similarity of structural motif of active sites, opening a window for applying merits …
because of similarity of structural motif of active sites, opening a window for applying merits …