Combining molecular docking and molecular dynamics to predict the binding modes of flavonoid derivatives with the neuraminidase of the 2009 h1n1 influenza a virus

International Journal of Molecular Sciences

Volumn 13, Issue 4, 2012, Pages 4496-4507

  Lu, Shih Jen ^a,b   Chong, Fok Ching ^a  

^a NATIONAL TAIWAN UNIVERSITY   (Taiwan)

^b BroadMaster Biotech Co Ltd   (Taiwan)

Author keywords

H1n1; Molecular docking; Molecular dynamics; Neuraminidase

Indexed keywords

FLAVONOID; VIRUS SIALIDASE; ANTIVIRUS AGENT; ENZYME INHIBITOR; PROTEIN BINDING; SIALIDASE;

ARTICLE; CRYSTAL STRUCTURE; DRUG PROTEIN BINDING; ENZYME ACTIVE SITE; ENZYME INHIBITOR INTERACTION; HYDROPHILICITY; HYDROPHOBICITY; INFLUENZA VIRUS A H1N1; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PREDICTION; PROCESS OPTIMIZATION; SOLVATION; ANTAGONISTS AND INHIBITORS; GENETICS; HUMAN; INFLUENZA A VIRUS (H1N1); INFLUENZA, HUMAN; METABOLISM; PANDEMIC; ULTRASTRUCTURE; X RAY CRYSTALLOGRAPHY;

ANTIVIRAL AGENTS; CRYSTALLOGRAPHY, X-RAY; ENZYME INHIBITORS; FLAVONOIDS; HUMANS; INFLUENZA A VIRUS, H1N1 SUBTYPE; INFLUENZA, HUMAN; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; NEURAMINIDASE; PANDEMICS; PROTEIN BINDING;

EID: 84860157502     PISSN: None     EISSN: 14220067     Source Type: Journal    
DOI: 10.3390/ijms13044496     Document Type: Article

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