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The Norrin Fz4CRD binding interface is conserved between the complex structures.
The system first executes a "round robin" shape complementarity search of the target protein group, and evaluates the interaction between the complex structures obtained by the search.
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The difference between catalytic activity of planar tetrathiocyanato platinate(II) complex and octahedral hexathiocyanato platinate(IV) points to the important relation between the complex structure and its catalytic activity[1, 2]: catalytically active was only the planar complex.
In this way we evaluated the difference between the complex structure obtained by using the docking calculation and the X-ray crystal structure.
The growth mechanism is discussed, and the analysis is helpful to understand the relationship between the kinetic factors and the complex structures.
The comparison between CysO molecules from the complex structure and the CysO alone structure shows that the overall structure remains the same, with a root-mean-square deviation (rmsd) between 89 Cα carbon atoms of 0.5 Å.
Hence, the aim of this work is to characterize the modal damping due to the coupling between the different layers of the complex structure.
Open image in new window Fig. 4 Ensemble refinement for the complex structure between EIN and HPr.
All methods were applied to both kidneys and spleen in order to examine whether any differences between methods were related to the complex structure of the kidneys or method dependent.
Docking calculation is performed to build the complex structure between receptor M2 proton channel and ligands, including existing drugs amantadine and rimantadine, and two newly designed inhibitors.
For cIAP1-BIR3 domain, the complex structure between the Smac peptide and cIAP1-BIR3 (PDB id: 3D9U) was used.
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