Computational prediction of antibody binding sites on tetracycline antibiotics: Electrostatic potentials and average local ionization energies on molecular surfaces

Journal of Physical Chemistry A

Volumn 113, Issue 4, 2009, Pages 756-766

  Kulshrestha, Pankaj ^a   Sukumar, N ^b   Murray, Jane S ^c,d   Giese, Rossman F ^a   Wood, Troy D ^a  

^a UNIVERSITY AT BUFFALO   (United States)

^b RENSSELAER POLYTECHNIC INSTITUTE   (United States)

^c UNIVERSITY OF NEW ORLEANS   (United States)

^d CLEVELAND STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANHYDROTETRACYCLINE; ANTIBODY BINDING SITES; AVERAGE DEVIATIONS; COMMON FEATURES; COMPUTATIONAL PREDICTIONS; CROSS REACTIVITIES; ELECTROSTATIC BALANCES; ELECTROSTATIC POTENTIALS; ENVIRONMENTAL WATER SAMPLES; ENZYME LINKED IMMUNO-SORBENT ASSAYS; GAUSSIAN 98; ISODENSITY; LOCAL IONIZATION ENERGIES; MOLECULAR ELECTROSTATIC POTENTIALS; MOLECULAR SURFACES; SURFACE ELECTROSTATIC POTENTIALS; TETRACYCLINE ANTIBIOTICS;

ANTIBIOTICS; BINDING ENERGY; BINDING SITES; ELECTROSTATICS; IONIZATION OF LIQUIDS; IONIZATION POTENTIAL; WATER ANALYSIS;

ANTIBODIES;

ANTIBODY; ANTIINFECTIVE AGENT; TETRACYCLINE;

ANTIBODY COMBINING SITE; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; CROSS REACTION; ENZYME LINKED IMMUNOSORBENT ASSAY; IMMUNOLOGY; STATIC ELECTRICITY; SURFACE PROPERTY;

ANTI-BACTERIAL AGENTS; ANTIBODIES; BINDING SITES, ANTIBODY; COMPUTER SIMULATION; CROSS REACTIONS; ENZYME-LINKED IMMUNOSORBENT ASSAY; MODELS, MOLECULAR; MOLECULAR CONFORMATION; STATIC ELECTRICITY; SURFACE PROPERTIES; TETRACYCLINE;

EID: 60549092728     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp8089165     Document Type: Article

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