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.

Grasselli, Mariano; Cascone, Osvaldo; Birger Anspach, F; Delfino, Jose M

Grasselli, Mariano; Cascone, Osvaldo; Birger Anspach, F; Delfino, Jose M.

Affiliation

Grasselli M; Cátedra de Microbiología Industrial y Biotecnología, Facultad de Farmacia y Bioquímica, Universidad de Buenos Aires, Junín 956, 1113 Buenos Aires, Argentina.

J Comput Aided Mol Des ; 16(12): 917-34, 2002 Dec.

Article in En | MEDLINE | ID: mdl-12825623

Subject(s)

Coloring Agents/chemistry; Computer Simulation; Lactoferrin/chemistry; Models, Molecular; Triazines/chemistry; Amino Acid Sequence; Animals; Binding Sites; Cattle; Humans; In Vitro Techniques; Lactoferrin/genetics; Ligands; Molecular Conformation; Molecular Sequence Data; Molecular Structure; Monte Carlo Method; Peptide Fragments/chemistry; Peptide Fragments/genetics; Protein Conformation; Static Electricity; Thermodynamics

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Collection: 01-internacional Database: MEDLINE Main subject: Triazines / Computer Simulation / Models, Molecular / Coloring Agents / Lactoferrin Type of study: Health_economic_evaluation / Prognostic_studies Limits: Animals / Humans Language: En Journal: J Comput Aided Mol Des Journal subject: BIOLOGIA MOLECULAR / ENGENHARIA BIOMEDICA Year: 2002 Document type: Article Affiliation country: Argentina

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