A multiscale simulation system for the prediction of drug-induced cardiotoxicity

Journal of Chemical Information and Modeling

Volumn 51, Issue 2, 2011, Pages 483-492

  Obiol Pardo, Cristian ^a   Gomis Tena, Julio ^b   Sanz, Ferran ^a   Saiz, Javier ^b   Pastor, Manuel ^a  

^a UNIVERSITAT POMPEU FABRA   (Spain)

^b UNIVERSITAT POLITÈCNICA DE VALÈNCIA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTROPHYSIOLOGY; POTASSIUM; RISK ASSESSMENT;

DOCKING SIMULATIONS; ELECTROPHYSIOLOGICAL MODELS; MULTI-SCALE SIMULATION; MULTISCALE PREDICTIONS; PRECLINICAL DEVELOPMENT; THREE-DIMENSIONAL QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; VENTRICULAR ARRHYTHMIAS; VENTRICULAR REPOLARIZATION;

FORECASTING;

DRUG; ERG1 POTASSIUM CHANNEL; POTASSIUM CHANNEL BLOCKING AGENT; POTASSIUM CHANNEL HERG; POTASSIUM CHANNEL KCNQ1;

ARTICLE; BIOLOGY; CHEMICAL STRUCTURE; CHEMISTRY; DRUG ANTAGONISM; DRUG EFFECT; ELECTROPHYSIOLOGY; HEART; HUMAN; METHODOLOGY; PHYSIOLOGY; PROTEIN CONFORMATION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REPRODUCIBILITY;

COMPUTATIONAL BIOLOGY; ELECTROPHYSIOLOGICAL PROCESSES; ETHER-A-GO-GO POTASSIUM CHANNELS; HEART; HUMANS; KCNQ1 POTASSIUM CHANNEL; MODELS, MOLECULAR; PHARMACEUTICAL PREPARATIONS; POTASSIUM CHANNEL BLOCKERS; PROTEIN CONFORMATION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REPRODUCIBILITY OF RESULTS;

EID: 79952159586     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci100423z     Document Type: Article

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