QSAR prediction of HIV-1 protease inhibitory activities using docking derived molecular descriptors

DOI10.1016/J.JTBI.2015.01.008zbMath1406.92178OpenAlexW2033855583WikidataQ42174643 ScholiaQ42174643MaRDI QIDQ1715220

Afsane Heidari, Mohammad H. Fatemi, Sajjad Gharaghani

Publication date: 4 February 2019

Published in: Journal of Theoretical Biology (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.jtbi.2015.01.008

zbMATH Keywords

molecular descriptorAutoDockhybrid dockingquantitative structure activity relationship

Mathematics Subject Classification ID

Applications of statistics to biology and medical sciences; meta analysis (62P10) Linear inference, regression (62J99) Learning and adaptive systems in artificial intelligence (68T05) Biochemistry, molecular biology (92C40)

Uses Software

• DRAGON
• MOPAC
• AutoDock
• AutoDock Vina
• iLoc-Virus
• Euk-PLoc
• HIVcleave

Cites Work

• Unnamed Item
• Some remarks on protein attribute prediction and pseudo amino acid composition
• \textbf{iLoc-Virus}: a multi-label learning classifier for identifying the subcellular localization of virus proteins with both single and multiple sites
• Predicting anticancer peptides with Chou's pseudo amino acid composition and investigating their mutagenicity via ames test

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