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Bioorganic and Medicinal Chemistry Letters

Volumn 22, Issue 22, 2012, Pages 6848-6853

Discovery of new non-steroidal FXR ligands via a virtual screening workflow based on Phase shape and induced fit docking

(7) Fu, Jing a Si, Pei b Zheng, Mingyue c Chen, Lili c Shen, Xu c Tang, Yun a Li, Weihua a,c

a EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (China)

b SHANGHAI NORMAL UNIVERSITY (China)

c SHANGHAI INSTITUTE OF MATERIA MEDICA (China)

Author keywords

Docking; FXR; Ligands; Phase shape; Virtual screening

Indexed keywords

1OSH; 3DCT; 3FLI; 3OKI; CELL NUCLEUS RECEPTOR; ENAMINE; FARNESOL X RECEPTOR; LIGAND; UNCLASSIFIED DRUG;

ARTICLE; ATOM; CRYSTAL STRUCTURE; DRUG SCREENING; MOLECULAR DOCKING; PHARMACOPHORE;

BINDING SITES; DATABASES, CHEMICAL; DRUG EVALUATION, PRECLINICAL; HYDROGEN BONDING; LIGANDS; MOLECULAR DOCKING SIMULATION; PROTEIN STRUCTURE, TERTIARY; RECEPTORS, CYTOPLASMIC AND NUCLEAR;

EID: 84867870692 PISSN: 0960894X EISSN: 14643405 Source Type: Journal
DOI: 10.1016/j.bmcl.2012.09.045 Document Type: Article

Times cited : (25)

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