Molecular Docking and Thermodynamic Studies of the Interactions between Aspirinate Complexes of Transition metals and Cyclooxygenase-2 Enzyme: Quantum Chemical Calculations based on the ONIOM method
<p>In the present research, molecular docking and thermodynamic properties of the transition metal complexes of aspirin were calculated against Cyclooxygenase-2 (COX-2) enzyme. Density functional theory with dispersion function (DFT-D) using LANL2DZ basis set calculation was carried out to st...
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| Main Authors: | , , , |
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| Format: | Book |
| Published: |
Shiraz University of Medical Sciences,
2017-05-01T00:00:00Z.
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