Computational studies on imidazole heme conformations

Journal of Biological Inorganic Chemistry

Volumn 10, Issue 4, 2005, Pages 343-354

  Galstyan, Artur S ^a   Zarić, Snežana D ^b   Knapp, Ernst Walter ^a  

^a FREIE UNIVERSITÄT BERLIN   (Germany)

^b UNIVERSITY OF BELGRADE   (Serbia)

Author keywords

Density functional theory calculations; Heme imidazole conformation; Propionic acid; Reaction field; Solvation energy

Indexed keywords

HEME; HEMOPROTEIN; IMIDAZOLE; PROPIONIC ACID DERIVATIVE; PROTEIN; WATER;

ARTICLE; CONFORMATION; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; DIELECTRIC CONSTANT; ELECTRICITY; PRIORITY JOURNAL; PROTEIN ANALYSIS; PROTON TRANSPORT; SOLVATION;

EID: 21544434659     PISSN: 09498257     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00775-005-0642-8     Document Type: Article

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