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

In this study, application of a new hybrid docking-quantitative structure activity relationship (QSAR) methodology to model and predict the HIV-1 protease inhibitory activities of a series of newly synthesized chemicals is reported. This hybrid docking-QSAR approach can provide valuable information...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Journal of theoretical biology 2015-03, Vol.369, p.13-22
Hauptverfasser:	Fatemi, Mohammad H., Heidari, Afsane, Gharaghani, Sajjad
Format:	Artikel
Sprache:	eng
Schlagworte:	AutoDock HIV Protease - metabolism HIV Protease Inhibitors - chemistry HIV Protease Inhibitors - pharmacology Humans Hybrid docking Least-Squares Analysis Ligands Linear Models Models, Theoretical Molecular descriptor Molecular Docking Simulation Quantitative Structure-Activity Relationship Reference Standards Support Vector Machine
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!