Estimation of ligand efficacies of metabotropic glutamate receptors from conformational forces obtained from molecular dynamics simulations

Journal of Chemical Information and Modeling

Volumn 53, Issue 6, 2013, Pages 1337-1349

  Lakkaraju, Sirish Kaushik ^a   Xue, Fengtian ^a,b   Faden, Alan I ^b   MacKerell, Alexander D ^a  

^a UNIVERSITY OF MARYLAND SCHOOL OF PHARMACY   (United States)

^b UNIVERSITY OF MARYLAND SCHOOL OF MEDICINE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEXATION; MOLECULAR DYNAMICS;

CONFORMATIONAL SAMPLINGS; EXTRACELLULAR LIGANDS; G PROTEIN COUPLED RECEPTORS; HARMONIC RESTRAINT; LIGAND COMPLEXES; METABOTROPIC GLUTAMATE RECEPTORS; MOLECULAR DYNAMICS SIMULATIONS; RATIONAL DESIGN;

LIGANDS;

LIGAND; METABOTROPIC GLUTAMATE RECEPTOR TYPE 1; METABOTROPIC RECEPTOR; METABOTROPIC RECEPTOR 5;

ANIMAL; ARTICLE; CHEMISTRY; DRUG ANTAGONISM; DRUG EFFECT; DRUG POTENTIATION; HUMAN; METABOLISM; MOLECULAR DYNAMICS; PROTEIN CONFORMATION; RAT; AGONISTS; ANTAGONISTS AND INHIBITORS; DRUG EFFECTS;

ANIMALS; HUMANS; LIGANDS; MOLECULAR DYNAMICS SIMULATION; PROTEIN CONFORMATION; RATS; RECEPTOR, METABOTROPIC GLUTAMATE 5; RECEPTORS, METABOTROPIC GLUTAMATE;

EID: 84879576539     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci400160x     Document Type: Article

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