Articles with "mechanics qsar" as a keyword



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Quantum mechanics and 3D-QSAR studies on thienopyridine analogues: inhibitors of IKKβ

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Published in 2020 at "Heliyon"

DOI: 10.1016/j.heliyon.2020.e04125

Abstract: Inhibitor of kappa B kinase subunit β (IKKβ) is a main regulator of nuclear factor kappa B (NF-κB) and has received considerable attention as an attractive therapeutic target for the treatment of lung cancer or… read more here.

Keywords: biological activity; thienopyridine derivatives; quantum mechanics; activity ... See more keywords