Analysis and assay of oseltamivir-resistant mutants of influenza neuraminidase via direct observation of drug unbinding and rebinding in simulation

Biochemistry

Volumn 52, Issue 45, 2013, Pages 8150-8164

  Woods, Christopher J ^a   Malaisree, Maturos ^a   Long, Benjamin ^a   McIntosh Smith, Simon ^a   Mulholland, Adrian J ^a  

^a UNIVERSITY OF BRISTOL   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BOUND WATER MOLECULES; CONFORMATIONAL CHANGE; DIRECT OBSERVATIONS; EXPLICIT MODELING; GRAPHICS PROCESSOR; MOLECULAR DYNAMICS SIMULATIONS; TRANSITION-STATE ANALOGUES; VISUALIZATION AND ANALYSIS;

BINDING ENERGY; COMPUTATIONAL CHEMISTRY; MOLECULAR DYNAMICS; MOLECULES; PROGRAM PROCESSORS;

COMPUTER SIMULATION;

OSELTAMIVIR; VIRUS SIALIDASE;

2009 H1N1 INFLUENZA; ANTIVIRAL RESISTANCE; ARTICLE; BINDING SITE; CONFORMATIONAL TRANSITION; DRUG BINDING; DRUG STABILITY; MOLECULAR DYNAMICS; PRIORITY JOURNAL; SIMULATION; VIRUS MUTANT;

ANTIVIRAL AGENTS; BINDING SITES; DRUG RESISTANCE, VIRAL; HUMANS; MOLECULAR DYNAMICS SIMULATION; MUTATION; NEURAMINIDASE; OSELTAMIVIR; PROTEIN BINDING; THERMODYNAMICS;

EID: 84887591023     PISSN: 00062960     EISSN: 15204995     Source Type: Journal    
DOI: 10.1021/bi400754t     Document Type: Article

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