Validation of semiempirical methods for modeling of corrinoid systems

Journal of Inorganic Biochemistry

Volumn 98, Issue 6, 2004, Pages 1078-1086

  Kwiecień, Renata A ^a   Rostkowski, Michał ^a   Dybała Defratyka, Agnieszka ^a   Paneth, Piotr ^a  

^a LODZ UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

B12 dependent enzymes; Cobalamin; DFT; Semiempirical calculations

Indexed keywords

CORRINOID; CYANOCOBALAMIN; LIGAND;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; GEOMETRY; MODEL; MOLECULAR MECHANICS; QUANTUM MECHANICS; VALIDATION PROCESS;

COMPUTATIONAL BIOLOGY; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; STRUCTURE-ACTIVITY RELATIONSHIP; VITAMIN B 12;

EID: 2442650421     PISSN: 01620134     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jinorgbio.2004.02.030     Document Type: Article

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