Why bound amantadine fails to inhibit proton conductance according to simulations of the drug-resistant influenza a m2 (s31n)

Journal of Physical Chemistry B

Volumn 119, Issue 3, 2015, Pages 1225-1231

  Gleed, Mitchell L ^a   Busath, David D ^a  

^a BRIGHAM YOUNG UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIVIRAL AGENTS; DRUG THERAPY; FREE ENERGY; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTONS;

BINDING BEHAVIORS; DRUG RESISTANCE; ENERGY PROFILE; HOMOTETRAMERS; MOLECULAR DYNAMICS SIMULATIONS; PROTON TRANSPORT; SOLID STATE NMR; UMBRELLA SAMPLING;

AMINES;

AMANTADINE; M2 PROTEIN, INFLUENZA A VIRUS; MATRIX PROTEIN; PROTON; WATER;

ANTAGONISTS AND INHIBITORS; ANTIVIRAL RESISTANCE; CHEMICAL STRUCTURE; CHEMISTRY; DRUG EFFECTS; INFLUENZA A VIRUS; METABOLISM; PROTEIN CONFORMATION; TRANSPORT AT THE CELLULAR LEVEL;

AMANTADINE; BIOLOGICAL TRANSPORT; DRUG RESISTANCE, VIRAL; INFLUENZA A VIRUS; MODELS, MOLECULAR; PROTEIN CONFORMATION; PROTONS; VIRAL MATRIX PROTEINS; WATER;

EID: 84921504937     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp508545d     Document Type: Article

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