title: Electronic structure calculations on the thiazole-containing antibiotic thiostrepton: molecular mechanics, semi-empirical and ab initio analyses.
abstract: Thiostrepton is a highly complex cyclic thiazoyl peptide antibiotic and is active against Gram-positive bacteria. Molecular mechanics, semi-empirical and ab initio studies were utilized to further understand the structural and electronic properties of this antibiotic.
authors.affiliation: Department of Chemistry, University of Waterloo, Waterloo, Ontario, N2L 3G1, Canada.
authors.forename: Pei C
authors.initials: PC
authors.lastname: Hang
authors.forename: John F
authors.initials: JF
authors.lastname: Honek
mesh_terms: D000900:Anti-Bacterial Agents / Q000737:chemistry*; D004563:Electrochemistry; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation; D013844:Thiazoles / Q000737:chemistry*; D013883:Thiostrepton / Q000737:chemistry*
chemical_list: D000900:Anti-Bacterial Agents; D013844:Thiazoles; D013883:Thiostrepton