Single mutation induced H3N2 hemagglutinin antibody neutralization: A free energy perturbation study

Journal of Physical Chemistry B

Volumn 112, Issue 49, 2008, Pages 15813-15820

  Zhou, Ruhong ^a,b   Das, Payel ^a   Royyuru, Ajay K ^a  

^a IBM T J WATSON RESEARCH CENTER   (United States)

^b Och Spine at New York Presbyterian Hospitals   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANIMAL CELL CULTURE; ANTIBODIES; ANTIGENS; BINDING SITES; BIOLOGICAL MATERIALS; DISSOCIATION; DYNAMICS; EXPERIMENTS; FLOW INTERACTIONS; FREE ENERGY; HYDROXYLATION; MOLECULAR DYNAMICS; QUANTUM CHEMISTRY; WATER ANALYSIS;

ANTIBODY FRAGMENTS; BINDING AFFINITIES; BINDING FREE ENERGIES; CO EVOLUTIONS; DISSOCIATION CONSTANTS; ELECTROSTATIC INTERACTIONS; ENERGY PERTURBATIONS; EXPLICIT SOLVENTS; HUMAN ANTIBODIES; INFLUENZA VIRUSES; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR MECHANISMS; MUTATION SITES; PHYSICAL INTERACTIONS; POSSIBLE FUTURES; PROTEIN MODELS; SINGLE MUTATIONS; UNBOUND STATES; VIRAL PROTEINS; WATER MOLECULES;

BINDING ENERGY;

EID: 58149147138     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp805529z     Document Type: Article

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