Concepedia

Combining ligand-based and structure-based drug design approaches to study the structure-activity relationships of a β-carboline derivative series

Taoufik Akabli, Hamid Toufik, Abdelaziz Yasri, H. Bih, Fatima Lamchouri

Structural Chemistry · 2018 · 18 citations · 40 references

DOI

Concepts

References

40

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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Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges

Johann Gasteiger, Mario Marsili · Tetrahedron · 1980 · 4.1K citations

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The selectivity of protein kinase inhibitors: a further update

Jenny Bain, Lorna Plater, Matt Elliott et al. · Biochemical Journal · 2007 · 2.5K citations · Full text

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Principles of QSAR models validation: internal and external

Paola Gramatica · QSAR & Combinatorial Science · 2007 · 2.2K citations · Full text

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Urinary and brain beta-carboline-3-carboxylates as potent inhibitors of brain benzodiazepine receptors.

Mogens Brøndsted Nielsen, Carl Erik Olsen · Proceedings of the National Academy of Sciences · 1980 · 541 citations · Full text

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