Concepedia

Single crystal XRD, DFT investigations and molecular docking study of 2- ((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)naphthalene-1,4-dione as a potential anti- cancer lead molecule

Kavitha Rani P.R., Y. Sheena Mary, Annette Fernandez, Anu Priya S, Renjith Thomas

Computational Biology and Chemistry · 2018 · 56 citations · 39 references

DOI

Concepts

References

39

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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AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

Oleg Trott, Arthur J. Olson · Journal of Computational Chemistry · 2009 · 37.1K citations · Full text

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Free radicals in biology and medicine

General Pharmacology The Vascular System · 1991 · 17.2K citations

, , +12

Molecular Properties That Influence the Oral Bioavailability of Drug Candidates

Daniel F. Veber, Stephen R. Johnson, Hung‐Yuan Cheng et al. · Journal of Medicinal Chemistry · 2002 · 8.1K citations

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Absolute hardness: companion parameter to absolute electronegativity

Robert G. Parr, Ralph G. Pearson · Journal of the American Chemical Society · 1983 · 7.8K citations

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