LigEvolutioner, a new strategy for modification and optimization of lead compounds in receptor/ligand complexes

Chemical Biology and Drug Design

Volumn 72, Issue 6, 2008, Pages 525-532

  Zhou, Peng ^a   Tian, Feifei ^b   Shang, Zhicai ^a  

^a ZHEJIANG UNIVERSITY   (China)

^b CHONGQING UNIVERSITY   (China)

Author keywords

Drug design; HLA A*0201; Lead compound; LigEvolutioner; Structure based lead optimization

Indexed keywords

HLA A ANTIGEN;

ALGORITHM; ANTIGEN PRESENTATION; ARTICLE; BINDING AFFINITY; COMPLEX FORMATION; COMPUTER PROGRAM; CRYSTAL STRUCTURE; DRUG RECEPTOR BINDING; HYDROGEN BOND; HYDROPHOBICITY; LIGAND BINDING; PRIORITY JOURNAL; SCORING SYSTEM;

ALGORITHMS; AMINO ACID SEQUENCE; BINDING SITES; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; DATABASES, PROTEIN; DRUG DESIGN; HLA-A ANTIGENS; HUMANS; INFORMATION SERVICES; LIGANDS; MODELS, MOLECULAR; PEPTIDES; PROTEIN STRUCTURE, TERTIARY; PROTEINS; SOFTWARE; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 56649086406     PISSN: 17470277     EISSN: None     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2008.00733.x     Document Type: Article

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