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Theoretical Study of the Effects of Different Coordination Atoms (O/S/N) on Crystal Structure, Stability, and Protein/DNA Binding of Ni(II) Complexes with Pyridoxal-Semi, Thiosemi, and Isothiosemicarbazone Ligand Systems

Violeta Jevtovic,Aleksandra Rakic,Odeh A. O. Alshammari, Munirah Sulaiman Alhar, Tahani Alenezi,Violeta Rakic,Dusan Dimic

INORGANICS（2024）

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关键词
nickel(II) complexes,DFT,QTAIM,HSA,DNA,molecular docking
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