The structure of 5a,6-anhydrotetracycline and its Mg2+ complexes in aqueous solution

Journal of Molecular Modeling

Volumn 12, Issue 6, 2006, Pages 953-963

  Othersen, Olaf G ^a   Lanig, Harald ^a   Clark, Timothy ^a  

^a UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

Author keywords

5a,6 anhydrotetracycline; AM1; Conformational analysis; Magnesium interactions

Indexed keywords

AMPHOLYTE; ANHYDROTETRACYCLINE; MAGNESIUM DERIVATIVE; TETRACYCLINE; WATER;

AQUEOUS SOLUTION; ARTICLE; BINDING SITE; COMPLEX FORMATION; CONFORMATIONAL TRANSITION; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; DRUG STRUCTURE; EMPIRICISM; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR MODEL; PRIORITY JOURNAL; PROTON TRANSPORT; SIMULATION; STRUCTURE ANALYSIS;

MAGNESIUM; MOLECULAR STRUCTURE; SOLUTIONS; TETRACYCLINES;

EID: 33749249440     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-005-0055-1     Document Type: Article

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