Modelling and enhanced molecular dynamics to steer structure-based drug discovery

Progress in Biophysics and Molecular Biology

Volumn 114, Issue 3, 2014, Pages 123-136

  Kalyaanamoorthy, Subha ^a   Chen, Yi Ping Phoebe ^a  

^a LA TROBE UNIVERSITY   (Australia)

Author keywords

Enhanced sampling molecular dynamics; Modelling; Molecular dynamics; Structure based drug discovery

Indexed keywords

G PROTEIN COUPLED RECEPTOR;

AMINO ACID SEQUENCE; CHEMISTRY; DRUG DEVELOPMENT; HUMAN; METABOLISM; MOLECULAR DYNAMICS; MOLECULAR GENETICS; MOVEMENT (PHYSIOLOGY); PROCEDURES; SEQUENCE HOMOLOGY; THERMODYNAMICS;

AMINO ACID SEQUENCE; DRUG DISCOVERY; HUMANS; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; MOVEMENT; RECEPTORS, G-PROTEIN-COUPLED; SEQUENCE HOMOLOGY, AMINO ACID; THERMODYNAMICS;

EID: 84900503813     PISSN: 00796107     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.pbiomolbio.2013.06.004     Document Type: Article

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