Steered molecular dynamics approach for promising drugs for influenza A virus targeting M2 channel proteins

European Biophysics Journal

Volumn 44, Issue 6, 2015, Pages 447-455

  Nguyen, Hung ^a   Le, Ly ^a,b  

^a INSTITUTE FOR COMPUTATIONAL SCIENCE AND TECHNOLOGY   (Viet Nam)

^b INTERNATIONAL UNIVERSITY   (Viet Nam)

Author keywords

Binding energy; Drug design; Drugs A1 (amantadine), A2 (rimantadine), A3, and A4; Influenza A virus; M2 channel proteins; Wild type, G34A, S31N, and V27A mutants

Indexed keywords

AMANTADINE; AMANTADINE DERIVATIVE; PROTEIN M2; RIMANTADINE; ANTIVIRUS AGENT; M2 PROTEIN, INFLUENZA A VIRUS; MATRIX PROTEIN; PROTEIN BINDING;

ARTICLE; BINDING AFFINITY; HYDROGEN BOND; INFLUENZA VIRUS A H5N1; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MECHANICS; NONHUMAN; PRIORITY JOURNAL; PROTEIN TARGETING; STATIC ELECTRICITY; STEERED MOLECULAR DYNAMICS; SURFACE AREA; AMINO ACID SEQUENCE; ANALOGS AND DERIVATIVES; ANTAGONISTS AND INHIBITORS; BINDING SITE; CHEMISTRY; MOLECULAR GENETICS;

INFLUENZA A VIRUS;

AMANTADINE; AMINO ACID SEQUENCE; ANTIVIRAL AGENTS; BINDING SITES; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; PROTEIN BINDING; VIRAL MATRIX PROTEINS;

EID: 84938957326     PISSN: 01757571     EISSN: 14321017     Source Type: Journal    
DOI: 10.1007/s00249-015-1047-4     Document Type: Article

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