Protonation status of metal-bound ligands can be determined by quantum refinement

Journal of Inorganic Biochemistry

Volumn 98, Issue 9, 2004, Pages 1539-1546

  Nilsson, Kristina ^a   Ryde, Ulf ^a  

^a LUND UNIVERSITY   (Sweden)

Author keywords

Acid constants; Alcohol dehydrogenase; Crystallographic refinement; Density functional calculations; Metal bound solvent molecules

Indexed keywords

ALCOHOL; ALCOHOL DEHYDROGENASE; LIGAND; METAL; PROTON; SOLVENT; WATER; ZINC;

ACCURACY; ANALYTIC METHOD; ARTICLE; CALCULATION; CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; DENSITY; ELECTRON; MOLECULAR MECHANICS; MOLECULE; PREDICTION; PROTON TRANSPORT; QUANTUM CHEMISTRY;

ALCOHOL DEHYDROGENASE; ALCOHOLS; CATALYSIS; HYDROGENATION; LIGANDS; MODELS, MOLECULAR; PROTEIN STRUCTURE, TERTIARY; PROTONS; WATER; ZINC;

EID: 4444253515     PISSN: 01620134     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jinorgbio.2004.06.006     Document Type: Article

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