Articles with "modeling qsar" as a keyword



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Combined Pharmacophore Modeling, 3D-QSAR, Molecular Docking and Molecular Dynamics Study on Indolyl-aryl-sulfone Derivatives as New HIV1 Inhibitors.

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Published in 2022 at "Acta chimica Slovenica"

DOI: 10.17344/acsi.2022.7427

Abstract: The present study deals with the in silico of 45 indolyl-aryl-sulfones known as anti-HIV1. The data were collected from recent previously reported inhibitors and divided into a sub-set of 33 compounds as the training set… read more here.

Keywords: combined pharmacophore; indolyl aryl; molecular dynamics; pharmacophore modeling ... See more keywords