Modeling of open, closed, and open-inactivated states of the hERG1 channel: Structural mechanisms of the state-dependent drug binding

Journal of Chemical Information and Modeling

Volumn 52, Issue 10, 2012, Pages 2760-2774

  Durdagi, Serdar ^a   Deshpande, Sumukh ^a   Duff, Henry J ^b   Noskov, Sergei Y ^a  

^a UNIVERSITY OF CALGARY   (Canada)

^b LIBIN CARDIOVASCULAR INSTITUTE OF ALBERTA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTROPHYSIOLOGY; MOLECULAR DYNAMICS;

ELECTROPHYSIOLOGICAL STUDIES; ENSEMBLE OF MODELS; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR MECHANISM; MULTIPLE TEMPLATES; POTASSIUM CURRENTS; PROTEIN-PROTEIN DOCKING; STRUCTURAL MECHANISMS;

PROTEINS;

BACTERIAL PROTEIN; BEKM 1 TOXIN; BEKM-1 TOXIN; KCNH1 PROTEIN, HUMAN; LIGAND; POTASSIUM CHANNEL; POTASSIUM CHANNEL HERG; POTASSIUM CHANNEL KV1.2; PROKARYOTIC POTASSIUM CHANNEL; SCORPION VENOM;

ARTICLE; BINDING SITE; CHEMISTRY; HEART MUSCLE CELL; HUMAN; KINETICS; METABOLISM; MOLECULAR DOCKING; PROTEIN BINDING; PROTEIN CONFORMATION; STRUCTURAL HOMOLOGY; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

BACTERIAL PROTEINS; BINDING SITES; CRYSTALLOGRAPHY, X-RAY; ETHER-A-GO-GO POTASSIUM CHANNELS; HUMANS; KINETICS; KV1.2 POTASSIUM CHANNEL; LIGANDS; MOLECULAR DOCKING SIMULATION; MYOCYTES, CARDIAC; POTASSIUM CHANNELS; PROTEIN BINDING; PROTEIN CONFORMATION; SCORPION VENOMS; STRUCTURAL HOMOLOGY, PROTEIN; THERMODYNAMICS;

EID: 84867830194     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci300353u     Document Type: Article

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