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Specific interactions between aryl hydrocarbon receptor and dioxin congeners: Ab initio fragment molecular orbital calculations

✍ Scribed by Eri Yoshikawa; Satoshi Miyagi; Kenichi Dedachi; Mitsuko Ishihara-Sugano; Satoshi Itoh; Noriyuki Kurita

Book ID
108181160
Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
789 KB
Volume
29
Category
Article
ISSN
1093-3263

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Ab initio fragment molecular orbital cal
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## Abstract Aryl hydrocarbon receptor (AhR) regulates expression of genes in a ligand‐dependent manner. Although AhR was found to contain basic helix‐loop‐helix and Per‐Arnt‐Sim (PAS) domains, three‐dimensional structures of AhR and its complex with ligand have not been determined yet. We here obta

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## Abstract The __ab initio__ fragment molecular orbital (FMO) calculations were performed for the cAMP receptor protein (CRP) complexed with a cAMP and DNA duplex to elucidate their sequence‐specific binding and the stability of the DNA duplex, as determined by analysis of their inter‐ and intramo