Metadynamics Simulations Reveal a Na+Independent Exiting Path of Galactose for the Inward-Facing Conformation of vSGLT

PLoS Computational Biology

Volumn 10, Issue 12, 2014, Pages

  Bisha, Ina ^a   Rodriguez, Alex ^a   Laio, Alessandro ^a   Magistrato, Alessandra ^b  

^a SISSA   (Italy)

^b DEMOCRITOS NATIONAL SIMULATION CENTER   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CYTOLOGY; FACINGS; FREE ENERGY; ION EXCHANGE; METAL IONS; SODIUM;

COMPUTATIONAL STUDIES; DETAILED KINETICS; ELECTROCHEMICAL GRADIENTS; KINETIC CHARACTERIZATION; METADYNAMICS SIMULATIONS; RELEASE PROCESS; SODIUM IONS; SYMPORTERS; TRANSPORT MECHANISM; VIBRIO PARAHAEMOLYTICUS;

LIGANDS;

COTRANSPORTER; GALACTOSE; SODIUM GALACTOSE TRANSPORTER; SODIUM ION; UNCLASSIFIED DRUG;

ACTIVE TRANSPORT; ARTICLE; BINDING SITE; CELL MEMBRANE TRANSPORT; CELLULAR DISTRIBUTION; CHANNEL GATING; CONFORMATIONAL TRANSITION; CONTROLLED STUDY; CYTOPLASM; ENERGY METABOLISM; HEXOSE TRANSPORT; INTRACELLULAR TRANSPORT; ION TRANSPORT; KINEMATICS; LIGAND BINDING; METADYNAMICS; MOLECULAR DYNAMICS; NONHUMAN; PROTEIN FUNCTION; SODIUM TRANSPORT; THERMODYNAMICS; VIBRIO PARAHAEMOLYTICUS;

VIBRIO PARAHAEMOLYTICUS;

EID: 84919665724     PISSN: 1553734X     EISSN: 15537358     Source Type: Journal    
DOI: 10.1371/journal.pcbi.1004017     Document Type: Article

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