Key distances, angles, dihedral angles and binding free energies of the M-CM-Asp and Ni-NTA complexes with two imidazoles (top section) and the protein fragment (bottom section).
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Average M-equatorial, M-axial, M-metal and ligand-imidazole/histidine Oeq distances are given in Å, angles, endocyclic and dihedral angles are given in ° and binding free energies (ΔGb and ΔGb,w(SAS)) are given in kcal∙mol-1.
创建时间：
2024-10-07
