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Full-Text Articles in Other Biochemistry, Biophysics, and Structural Biology
Defining Interactions Between Deformable Dna Origami And Lipid Bilayers Through Molecular Dynamics Simulation, Zachary A. Loyd
Defining Interactions Between Deformable Dna Origami And Lipid Bilayers Through Molecular Dynamics Simulation, Zachary A. Loyd
Chancellor’s Honors Program Projects
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Structural Characterization And Selective Drug Targeting Of Higher-Order Dna G-Quadruplex Systems., Robert Chandos Monsen
Structural Characterization And Selective Drug Targeting Of Higher-Order Dna G-Quadruplex Systems., Robert Chandos Monsen
Electronic Theses and Dissertations
There is now substantial evidence that guanine-rich regions of DNA form non-B DNA structures known as G-quadruplexes in cells. G-quadruplexes (G4s) are tetraplex DNA structures that form amid four runs of guanines which are stabilized via Hoogsteen hydrogen bonding to form stacked tetrads. DNA G4s have roles in key genomic functions such as regulating gene expression, replication, and telomere homeostasis. Because of their apparent role in disease, G4s are now viewed as important molecular targets for anticancer therapeutics. To date, the structures of many important G4 systems have been solved by NMR or X-ray crystallographic techniques. Small molecules developed to …
Modeling The Binding Of Neurotransmitter Transporter Inhibitors With Molecular Dynamics And Free Energy Calculations, Bernandie Jean
Modeling The Binding Of Neurotransmitter Transporter Inhibitors With Molecular Dynamics And Free Energy Calculations, Bernandie Jean
Electronic Theses and Dissertations
The monoamine transporter (MAT) proteins responsible for the reuptake of the neurotransmitter substrates, dopamine, serotonin, and norepinephrine, are drug targets for the treatment of psychiatric disorders including depression, anxiety, and attention deficit hyperactivity disorder. Small molecules that inhibit these proteins can serve as useful therapeutic agents. However, some dopamine transporter (DAT) inhibitors, such as cocaine and methamphetamine, are highly addictive and abusable. Efforts have been made to develop small molecules that will inhibit the transporters and elucidate specific binding site interactions. This work provides knowledge of molecular interactions associated with MAT inhibitors by offering an atomistic perspective that can guide …