Concepedia

Organyltellurium(IV) complexes incorporating Schiff base ligand derived from 2-hydroxy-1-naphthaldehyde: Preparation, spectroscopic investigations, antimicrobial, antioxidant activities, DFT, MESP, NBO, molecular docking and ADMET evaluation

Mahak Dalal, Amit Dubey, Aisha Tufail, Nidhi Antil, Nitu Sehrawat, Sapana Garg

Journal of Molecular Structure · 2023 · 60 citations · 54 references

DOI

Concepts

References

54

Use of a free radical method to evaluate antioxidant activity

Wendy Brand-Williams, Marie‐Elisabeth Cuvelier, Claudette Berset · LWT · 1995 · 25.2K citations · Full text

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A new mixing of Hartree–Fock and local density-functional theories

Axel D. Becke · The Journal of Chemical Physics · 1993 · 16.4K citations

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Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments

G. Madhavi Sastry, Matvey Adzhigirey, Tyler Day et al. · Journal of Computer-Aided Molecular Design · 2013 · 6K citations

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Self-consistent molecular orbital methods. 24. Supplemented small split-valence basis sets for second-row elements

William J. Pietro, Michelle Francl, Warren J. Hehre et al. · Journal of the American Chemical Society · 1982 · 1.2K citations

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The RCSB Protein Data Bank: views of structural biology for basic and applied research and education

Peter W. Rose, Andreas Prlić, Chunxiao Bi et al. · Nucleic Acids Research · 2014 · 533 citations · Full text

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