Chemistry - A European Journal · 2013 · 56 citations · 41 references
Natural SciencesBiochemistryChemistryInorganic ChemistryStructural BiologyStructure-activity RelationshipsBioinorganic ChemistryLigand BindingProtein-ligand BindingComparative Structural AnalysisEscherichia ColiLigand ChemistryProtein-ligand Complex StructureSiliconSilicon ChemistrySilicon InteractionStructural Comparative Analysis
The E. coli siderophore enterobactin, one of the strongest Fe(III) chelators known to date, is also capable of binding Si(IV) under physiological conditions. We report on the synthesis and structural characterization of the tris(catecholate) Si(IV) -enterobactin complex and its Ge(IV) and Ti(IV) analogues. Comparative structural analysis, supported by quantum-chemical calculations, reveals the correlation between the ionic radius and the structural changes in enterobactin upon complexation.
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G. te Velde, F. Matthias Bickelhaupt, Evert Jan Baerends et al. · Journal of Computational Chemistry · 2001 · 10K citations
Natural Sciences, Chemistry, Physics +17
Towards an order- N DFT method
Célia Fonseca Guerra, J. G. Snijders, G. te Velde et al. · Theoretical Chemistry Accounts · 1998 · 2.8K citations
Natural Sciences, Chemistry, Physics +11
Célia Fonseca Guerra, J. G. Snijders, G. te Velde et al. · Theoretical Chemistry Accounts · 1998 · 1.5K citations · Full text