A QM/MM study of the complexes formed by aluminum and iron with serum transferrin at neutral and acidic pH

Journal of Inorganic Biochemistry

Volumn 105, Issue 11, 2011, Pages 1446-1456

  Mujika, J I ^a   Lopez, X ^a   Rezabal, E ^b   Castillo, R ^c   Marti, S ^c   Moliner, V ^c,d   Ugalde, J M ^a  

^a UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

^b GOETHE UNIVERSITY   (Germany)

^c UNIVERSITAT JAUME I   (Spain)

^d LODZ UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

Aluminum toxicity; Molecular dynamics; QM MM

Indexed keywords

ALUMINUM; FERRIC ION; TRANSFERRIN;

ACIDITY; ARTICLE; BINDING SITE; DENSITY FUNCTIONAL THEORY; MOLECULAR MECHANICS; PH MEASUREMENT; PROTEIN BLOOD LEVEL; QUANTUM MECHANICS;

ALUMINUM; AMINO ACID MOTIFS; BINDING SITES; COORDINATION COMPLEXES; HYDROGEN BONDING; HYDROGEN-ION CONCENTRATION; IRON; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; QUANTUM THEORY; TRANSFERRIN;

EID: 81855207381     PISSN: 01620134     EISSN: 18733344     Source Type: Journal    
DOI: 10.1016/j.jinorgbio.2011.07.019     Document Type: Article

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