Concepedia

Structural investigations and theoretical insights of a polymethoxy chalcone derivative: Synthesis, crystal structure, 3D energy frameworks and SARS CoV-2 docking studies

Karthik Kumara, Mahima Jyothi, Salma Kouser, A.H. Uday Kumar, Ismail Warad, Shaukath Ara Khanum, N.K. Lokanath

Journal of Molecular Structure · 2022 · 21 citations · 45 references

DOI

Concepts

References

45

VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations

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Multiwfn: A multifunctional wavefunction analyzer

Tian Lu, Feiwu Chen · Journal of Computational Chemistry · 2011 · 43K citations

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Crystal structure refinement with<i>SHELXL</i>

George M. Sheldrick · Acta Crystallographica Section C Structural Chemistry · 2014 · 42.5K citations · Full text

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Single-crystal structure validation with the program<i>PLATON</i>

Anthony L. Spek · Journal of Applied Crystallography · 2003 · 13.9K citations · Full text

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<i>Mercury 4.0</i>: from visualization to analysis, design and prediction

Clare F. Macrae, Ioana Şovago, Simon J. Cottrell et al. · Journal of Applied Crystallography · 2019 · 4.9K citations · Full text

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