A structural and energetics analysis of the binding of a series of N-acetylneuraminic-acid-based inhibitors to influenza virus sialidase

Journal of Computer-Aided Molecular Design

Volumn 10, Issue 3, 1996, Pages 233-246

  Taylor, Neil R ^a   Von Itzstein, Mark ^b  

^a MONASH UNIVERSITY   (Australia)

^b GLAXOSMITHKLINE   (United Kingdom)

Author keywords

Calculated binding energies; Continuum electrostatics; Influenza; Molecular mechanics; Sialidase

Indexed keywords

COMPLEXATION; CRYSTAL STRUCTURE; DISSOCIATION; ELECTROSTATICS; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; MOLECULES; VIRUSES;

CALCULATED BINDING ENERGY; CONTINUUM ELECTROSTATIC; DYNAMIC ENERGY; ENERGETIC ANALYSIS; ENERGY; ENERGY MINIMIZATION; INFLUENZA; INFLUENZA VIRUS; N-ACETYLNEURAMINIC ACID; SIALIDASES;

BINDING ENERGY;

ENZYME INHIBITOR; LIGAND; N ACETYLNEURAMINIC ACID; SIALIDASE; VIRUS PROTEIN;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; DRUG ANTAGONISM; ENZYMOLOGY; KINETICS; ORTHOMYXOVIRUS; PROTEIN BINDING; THERMODYNAMICS;

BINDING SITES; COMPUTER SIMULATION; ENZYME INHIBITORS; KINETICS; LIGANDS; MODELS, MOLECULAR; N-ACETYLNEURAMINIC ACID; NEURAMINIDASE; ORTHOMYXOVIRIDAE; PROTEIN BINDING; THERMODYNAMICS; VIRAL PROTEINS;

EID: 0030157593     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1007/BF00355045     Document Type: Article

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