In silico mutagenesis and docking studies of Pseudomonas aeruginosa PA-IIL lectin - Predicting binding modes and energies

Journal of Chemical Information and Modeling

Volumn 48, Issue 11, 2008, Pages 2234-2242

  Adam, Jan ^a   Kříž, Zdeněk ^a   Prokop, Martin ^a   Wimmerová, Michaela ^a   Koča, Jaroslav ^a  

^a MASARYK UNIVERSITY   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

APPLICATION PROGRAMS; BACTERIA; CALCIUM; CRYSTAL STRUCTURE; DOCKS; FORECASTING; HYDRAULIC STRUCTURES; MOLECULAR DYNAMICS; PROTEINS;

BINDING MODES; CALCIUM DEPENDENT; DOCKING STUDIES; MOLECULAR DOCKING; PARTIAL CHARGES; PREDICTION ACCURACY; PREFERENCE CHANGE; PSEUDOMONAS AERUGINOSA;

BINDING ENERGY;

ADHESIN; ADHESIN, PSEUDOMONAS; CALCIUM; LECTIN; LIGAND; MONOSACCHARIDE;

AMINO ACID SEQUENCE; ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; COMPUTER SIMULATION; GENETICS; INFORMATION SCIENCE; MOLECULAR GENETICS; PROTEIN QUATERNARY STRUCTURE; PSEUDOMONAS AERUGINOSA; SEQUENCE HOMOLOGY; SITE DIRECTED MUTAGENESIS; STATISTICS; THERMODYNAMICS;

ADHESINS, BACTERIAL; AMINO ACID SEQUENCE; BINDING SITES; CALCIUM; COMPUTER SIMULATION; INFORMATICS; LECTINS; LIGANDS; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; MONOSACCHARIDES; MUTAGENESIS, SITE-DIRECTED; PROTEIN STRUCTURE, QUATERNARY; PSEUDOMONAS AERUGINOSA; SEQUENCE HOMOLOGY, AMINO ACID; SOFTWARE; THERMODYNAMICS;

EID: 57549092709     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci8002107     Document Type: Article

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