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Efficient synthesis, crystallography study, antibacterial/antifungal activities, DFT/ADMET studies and molecular docking of novel α-aminophosphonates

Rania Bahadi, Malika Berredjem, Chahrazed Benzaid, Fouzia Bouchareb, Ali Dekir, MANEL LINA DJENDI, Malika Ibrahim‐Ouali, Meriem Boussaker, Sofiane Bouacida, Ajmal Rashid Bhat,

Journal of Molecular Structure · 2023 · 32 citations · 37 references

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37

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

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Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 100.1K citations

, , +17

A short history of<i>SHELX</i>

George M. Sheldrick · Acta Crystallographica Section A Foundations of Crystallography · 2007 · 87.4K citations · Full text

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<i>WinGX</i>and<i>ORTEP for Windows</i>: an update

Louis J. Farrugia · Journal of Applied Crystallography · 2012 · 11.8K 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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