Computer-aided design of GPCR ligands

Methods in Molecular Biology

Volumn 1272, Issue , 2015, Pages 271-291

  Gutiérrez De Terán, Hugo ^a   Keränen, Henrik ^a   Azuaje, Jhonny ^a   Rodríguez, David ^a   Åqvist, Johan ^a   Sotelo, Eddy ^a  

^a NONE

Author keywords

Adenosine receptors; Combinatorial chemistry; Free energy perturbation; Homology modeling; Molecular dynamics; QSAR; Structure based drug design

Indexed keywords

4 [2 [7 AMINO 2 (2 FURYL) 1,2,4 TRIAZOLO[2,3 A][1,3,5]TRIAZIN 5 YLAMINO]ETHYL]PHENOL; 8 CYCLOPENTYL 1,3 DIPROPYLXANTHINE; 9 CHLORO 2 (2 FURYL) 5,6 DIHYDRO 5 IMINO 1,2,4 TRIAZOLO[2,3 C]QUINAZOLINE; ADENOSINE 5' (N ETHYLCARBOXAMIDE); ADENOSINE A1 RECEPTOR; ADENOSINE A2 RECEPTOR; ADENOSINE A3 RECEPTOR; G PROTEIN COUPLED RECEPTOR; NALPHA (DIPHENYLACETYL) N (4 HYDROXYBENZYL) DEXTRO ARGININAMIDE; NEUROPEPTIDE Y1 RECEPTOR;

AB INITIO CALCULATION; ARTICLE; BINDING AFFINITY; COMBINATORIAL CHEMISTRY; COMPUTER AIDED DESIGN; CRYSTAL STRUCTURE; DRUG DESIGN; FACTORIAL DESIGN; FRACTIONAL FACTORIAL DESIGN; FREE ENERGY PERTURBATION; GENETIC ALGORITHM; HUMAN; HYDROGEN BOND; LIGAND BINDING; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PRACTICE GUIDELINE; PRIORITY JOURNAL; PROTEIN STRUCTURE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SEQUENCE ALIGNMENT; SITE DIRECTED MUTAGENESIS;

EID: 84921813907     PISSN: 10643745     EISSN: None     Source Type: Book Series    
DOI: 10.1007/978-1-4939-2336-6_19     Document Type: Article

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