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Figure 2
(a) Schematic view of the ONIOM two-layer (MM/QM) concept). (b) A PDB structure with two ligand regions to illustrate the ONIOM refinement concept. |
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Figure 2
(a) Schematic view of the ONIOM two-layer (MM/QM) concept). (b) A PDB structure with two ligand regions to illustrate the ONIOM refinement concept. |