Concepedia

Growth, single crystal investigations, Hirshfeld surface analysis, DFT studies, molecular dynamics simulations, molecular docking, physico-chemical characterization and biological activity of novel thiocyanic complex with zinc transition metal precursor

Jawher Makhlouf, Youness El Bakri, Arto Valkonen, Saravanan Kandasamy, Sajjad Ahmad, Wajda Smirani

Polyhedron · 2022 · 19 citations · 41 references

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Concepts

References

41

UCSF Chimera—A visualization system for exploratory research and analysis

Eric F. Pettersen, Thomas D. Goddard, Conrad C. Huang et al. · Journal of Computational Chemistry · 2004 · 47.8K citations

, , +17

<i>SHELXT</i>– Integrated space-group and crystal-structure determination

George M. Sheldrick · Acta Crystallographica Section A Foundations and Advances · 2014 · 28.6K citations · Full text

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AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

Garrett M. Morris, Ruth Huey, William Lindstrom et al. · Journal of Computational Chemistry · 2009 · 25K citations · Full text

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<i>WinGX</i>suite for small-molecule single-crystal crystallography

Louis J. Farrugia · Journal of Applied Crystallography · 1999 · 18.9K citations

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Hirshfeld surface analysis

Mark A. Spackman, Dylan Jayatilaka · CrystEngComm · 2008 · 7.8K citations

, , +12