Quantitative Predictions of Binding Free Energy Changes in Drug-Resistant Influenza Neuraminidase

PLoS Computational Biology

Volumn 8, Issue 8, 2012, Pages

  Ripoll, Daniel R ^a   Khavrutskii, Ilja V ^a   Chaudhury, Sidhartha ^a   Liu, Jin ^a   Kuschner, Robert A ^b   Wallqvist, Anders ^a   Reifman, Jaques ^a  

^a U S ARMY MEDICAL RESEARCH AND MATERIEL COMMAND   (United States)

^b WALTER REED ARMY INSTITUTE OF RESEARCH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; DRUG THERAPY; FREE ENERGY;

ANTI-VIRAL DRUGS; BINDING FREE ENERGY; DRUG-RESISTANCE; DRUG-SENSITIVITY; FREE ENERGY CHANGE; FREE-ENERGY CALCULATIONS; NEURAMINIDASE; QUANTITATIVE PREDICTION; STRUCTURAL BIOLOGY; ZANAMIVIR;

MOLECULAR DYNAMICS;

OSELTAMIVIR; VIRUS SIALIDASE; ZANAMIVIR;

ACCURACY; ANTIVIRAL RESISTANCE; ARTICLE; BINDING FREE ENERGY; BINDING SITE; CONFORMATIONAL TRANSITION; CRYSTALLOGRAPHY; ENERGY; ENZYME ACTIVE SITE; HYDROPHOBICITY; INFLUENZA VIRUS; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; MUTATION; PREDICTION; PROTEIN STRUCTURE; QUANTITATIVE ANALYSIS;

EID: 84866086808     PISSN: 1553734X     EISSN: 15537358     Source Type: Journal    
DOI: 10.1371/journal.pcbi.1002665     Document Type: Article

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