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- W2097788470 abstract "With the breakthrough crystallization of the bacterial leucine transporter protein LeuT, the first available X-ray structure for the neurotransmitter/sodium symporter family, development of 3-D computational models is suddenly essential for structure-function studies on the plasmalemmal monoamine transporters (MATs). LeuT-based MAT models have been used to guide elucidation of substrate and inhibitor binding pockets, and molecular dynamics simulations using these models are providing insight into conformations involved in the substrate translocation cycle. With credible MAT models finally in hand, structure-based virtual screening for novel ligands is yielding lead compounds toward the development of new medications for psychostimulant dependence, attention deficit hyperactivity, depression, anxiety, schizophrenia, and other disorders associated with dopamine, norepinephrine, or serotonin dysregulation." @default.
- W2097788470 created "2016-06-24" @default.
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- W2097788470 date "2012-08-24" @default.
- W2097788470 modified "2023-10-14" @default.
- W2097788470 title "Monoamine Transporter Structure, Function, Dynamics, and Drug Discovery: A Computational Perspective" @default.
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- W2097788470 doi "https://doi.org/10.1208/s12248-012-9391-0" @default.
- W2097788470 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/3475841" @default.
- W2097788470 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/22918625" @default.
- W2097788470 hasPublicationYear "2012" @default.
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