Guiding lead optimization with GPCR structure modeling and molecular dynamics

Current Opinion in Pharmacology

Volumn 30, Issue , 2016, Pages 14-21

  Heifetz, Alexander ^a   James, Tim ^a   Morao, Inaki ^a   Bodkin, Michael J ^a   Biggin, Philip C ^b  

^a EVOTEC UK LTD   (United Kingdom)

^b UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

G PROTEIN COUPLED RECEPTOR; MELANIN CONCENTRATING HORMONE RECEPTOR 1; MELANIN CONCENTRATING HORMONE RECEPTOR 1 ANTAGONIST; OREXIN 2 RECEPTOR; OREXIN RECEPTOR ANTAGONIST; POTASSIUM CHANNEL HERG; SEROTONIN 2C AGONIST; SEROTONIN 2C RECEPTOR; WATER; LIGAND; PROTEIN BINDING;

BINDING AFFINITY; BINDING SITE; CRYSTAL STRUCTURE; DRUG DESIGN; DRUG SCREENING; DRUG SELECTIVITY; DRUG SYNTHESIS; HIGH THROUGHPUT SCREENING; LIGAND BINDING; METABOLIC DISORDER; MOLECULAR DOCKING; MOLECULAR DYNAMICS; OBESITY; PRIORITY JOURNAL; REVIEW; STRUCTURAL MODEL; DRUG DEVELOPMENT; HUMAN; METABOLISM; PROCEDURES;

DRUG DESIGN; DRUG DISCOVERY; HUMANS; LIGANDS; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; RECEPTORS, G-PROTEIN-COUPLED;

EID: 84978531774     PISSN: 14714892     EISSN: 14714973     Source Type: Journal    
DOI: 10.1016/j.coph.2016.06.004     Document Type: Review

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