Concepedia

Integrated analysis of antimicrobial, antioxidant, and phytochemical properties of Cinnamomum verum: A comprehensive In vitro and In silico study

Samiah H. Al-Mijalli, Hanae Naceiri Mrabti, Naoufal El Hachlafi, Amine Elbouzidi, Emad M. Abdallah, Rachid Flouchi, Hamza Assaggaf, Ahmed Qasem, Gökhan Zengin, Abdelhakim Bouyahya,

Biochemical Systematics and Ecology · 2023 · 45 citations · 69 references

DOI

Concepts

References

69

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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SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules

Antoine Daina, Olivier Michielin, Vincent Zoete · Scientific Reports · 2017 · 17.1K citations · Full text

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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

Christopher A. Lipinski, Franco Lombardo, Beryl W. Dominy et al. · Advanced Drug Delivery Reviews · 1997 · 11.2K citations

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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

, , +15

pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures

Douglas E. V. Pires, Tom L. Blundell, David B. Ascher · Journal of Medicinal Chemistry · 2015 · 5.4K citations · Full text

, , +17