SCOPUS 정보 검색 플랫폼

Journal of Computer-Aided Molecular Design

Volumn 22, Issue 5, 2008, Pages 311-325

A new method for ligand docking to flexible receptors by dual alanine scanning and refinement (SCARE)

(4) Bottegoni, Giovanni a Kufareva, Irina a Totrov, Maxim b Abagyan, Ruben a,b

a SCRIPPS RESEARCH INSTITUTE (United States)

Author keywords

Cross docking; Drug binding; ICM; Induced fit; Internal coordinate mechanics; Receptor flexibility; Scanning docking; Structure based drug design

Indexed keywords

AMINO ACIDS; BINDING SITES; CHAINS; CONFORMATIONS; PROTEINS;

BOUNDING-BOX; CROSSDOCKING; DRUG BINDING; ICM; INDUCED FIT; INTERNAL COORDINATE MECHANIC; INTERNAL COORDINATES; RECEPTOR FLEXIBILITY; SCANNING DOCKING; STRUCTURE BASED DRUG DESIGNS;

LIGANDS;

25 EPOXYCHOLESTEROL; 3 [3 [[2 CHLORO 3 (TRIFLUOROMETHYL)BENZYL](2 DIPHENYLETHYL)AMINO]PROPOXY]PHENYLACETIC ACID; 4 ANILINOQUINAZOLINE 3; 4 HYDROXYTAMOXIFEN; 5 BROMOTHIENYDEOXYURIDINE; ALANINE; ALDEHYDE REDUCTASE; BLOOD CLOTTING FACTOR 10A; CYCLIN DEPENDENT KINASE 2; CYCLOOXYGENASE 2; DIHYDROPYRAN PHENETHYL PROPYL CARBOXAMIC ACID 5D; ENZYME INHIBITOR; ESTROGEN RECEPTOR; FLURBIPROFEN; GLYCOGEN SYNTHASE KINASE 3BETA; HYMENIALDISINE; MITOGEN ACTIVATED PROTEIN KINASE 12; MITOGEN ACTIVATED PROTEIN KINASE P38; PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA; PROGESTERONE; QUINAZOLINE DERIVATIVE; RALOXIFENE; ROSIGLITAZONE; SIALIC ACID; SIALIDASE; STAUROSPORINE; THYMIDINE; TOLRESTAT; TRYPSIN; UNCLASSIFIED DRUG; CELL SURFACE RECEPTOR; LIGAND; PROTEIN;

ALGORITHM; ARTICLE; AUTOMATION; BINDING SITE; CONTROLLED STUDY; CRYSTAL STRUCTURE; LIGAND BINDING; MOLECULAR DOCKING; PRIORITY JOURNAL; PROTEIN CONFORMATION; RECEPTOR BINDING; SCAN ALANINES AND REFINE ALGORITHM; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER AIDED DESIGN; DRUG DESIGN; METABOLISM;

ALANINE; ALGORITHMS; BINDING SITES; COMPUTER-AIDED DESIGN; DRUG DESIGN; LIGANDS; MODELS, MOLECULAR; PROTEINS; RECEPTORS, CELL SURFACE;

EID: 47249102090 PISSN: 0920654X EISSN: 15734951 Source Type: Journal
DOI: 10.1007/s10822-008-9188-5 Document Type: Article

Times cited : (77)

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