On the molecular interaction between lactoferrin and the dye Red HE-3B. A novel approach for docking a charged and highly flexible molecule to protein surfaces

Journal of Computer-Aided Molecular Design

Volumn 16, Issue 12, 2002, Pages 917-934

  Grasselli, Mariano ^a,c   Cascone, Osvaldo ^a   Anspach, F Birger ^b,d   Delfino, Jose M ^a  

^a UNIVERSIDAD DE BUENOS AIRES   (Argentina)

^b HELMHOLTZ CENTRE FOR INFECTION RESEARCH   (Germany)

^c UNIVERSIDAD NACIONAL DE QUILMES   (Argentina)

^d Hochschule fur Angewandte Wissenschaften   (Germany)

Author keywords

Conformational analysis; Docking; Dye protein complex; Electrostatic interaction; Flexible ligand; Lactoferrin; Molecular modeling; Protection from proteolysis; Red HE 3B

Indexed keywords

AFFINITY CHROMATOGRAPHY; BINDING SITES; CONFORMATIONS; MOLECULES; PROTEINS; PURIFICATION;

BINDING-SITES; CONFORMATIONAL ANALYSIS; DOCKING; DYE-PROTEIN COMPLEX; FLEXIBLE LIGANDS; FLEXIBLE MOLECULES; LACTOFERRIN; PROTECTION FROM PROTEOLYSIS; PROTEIN COMPLEXES; RED HE-3B;

PROTEOLYSIS;

DYE; IRON BINDING PROTEIN; LACTOFERRIN;

AFFINITY CHROMATOGRAPHY; ARTICLE; BINDING SITE; CONFORMATION; CONTROLLED STUDY; GEOMETRY; MOLECULAR INTERACTION; PREDICTION; PRIORITY JOURNAL; PROTEIN DEGRADATION; PROTEIN ENGINEERING; SCREENING; STATISTICAL ANALYSIS; STRUCTURE ANALYSIS;

EID: 0037837201     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1023868309253     Document Type: Article

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