Theoretical analysis of binding specificity of influenza viral hemagglutinin to avian and human receptors based on the fragment molecular orbital method

Computational Biology and Chemistry

Volumn 32, Issue 3, 2008, Pages 198-211

  Iwata, Tatsunori ^a   Fukuzawa, Kaori ^b   Nakajima, Katsuhisa ^c   Aida Hyugaji, Sachiko ^d   Mochizuki, Yuji ^e,f   Watanabe, Hirofumi ^a,f   Tanaka, Shigenori ^a,f  

^a KOBE UNIVERSITY   (Japan)

^b MIZUHO INFORMATION AND RESEARCH INSTITUTE   (Japan)

^c NAGOYA CITY UNIV MEDICAL SCHOOL   (Japan)

^d TOKAI UNIVERSITY   (Japan)

^e RIKKYO UNIVERSITY   (Japan)

^f JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

Fragment molecular orbital method; Hemagglutinin; Influenza; Molecular recognition; Receptor binding

Indexed keywords

BINDING SITES; COMPUTATIONAL COMPLEXITY; INTERFACIAL ENERGY; MOLECULAR ORBITALS; MOLECULAR RECOGNITION; PROTEINS;

BINDING AFFINITY; BINDING SPECIFICITY; FRAGMENT MOLECULAR ORBITAL METHODS; HEMAGGLUTININ; RECEPTOR BINDING;

MOLECULAR DYNAMICS;

CELL SURFACE RECEPTOR; INFLUENZA VIRUS HEMAGGLUTININ;

ANIMAL; ARTICLE; BINDING COMPETITION; BINDING SITE; BIOLOGY; BIRD; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; HUMAN; METHODOLOGY; ORTHOMYXOVIRUS; PROTEIN BINDING; QUANTUM THEORY; SWINE;

ANIMALS; BINDING SITES; BINDING, COMPETITIVE; BIRDS; COMPUTATIONAL BIOLOGY; COMPUTER SIMULATION; HEMAGGLUTININ GLYCOPROTEINS, INFLUENZA VIRUS; HUMANS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; ORTHOMYXOVIRIDAE; PROTEIN BINDING; QUANTUM THEORY; RECEPTORS, CELL SURFACE; SWINE;

AVES; ORTHOMYXOVIRIDAE; SUIDAE;

EID: 43249090067     PISSN: 14769271     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.compbiolchem.2008.03.006     Document Type: Article

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