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Investigating Medicinally Important Portein-Protein And Protein-Ligand Interactions : A Computational Approach, Cooper Ashley Taylor
Investigating Medicinally Important Portein-Protein And Protein-Ligand Interactions : A Computational Approach, Cooper Ashley Taylor
Honors Theses
Molecular dynamics (MD) simulations and computational chemistry allow for an atomistic understanding of protein-protein and protein-ligand binding motifs. Through the use of MD, medicinally relevant complexes can be examined in detail unattainable by experimental methods. Within this work, systems pertinent to both Alzheimer’s Disease and HIV-1 are probed and thoroughly sampled to help elucidate potential therapeutic pathways. We used molecular dynamics and free energy estimations to gauge the affinity for the binary and ternary complexes of KLC1, APP and JIP1, three proteins all believed to be involved in the propagation of Alzheimer’s Disease. Two areas of thought exist suggesting that …
The Progression Of Lyme Disease In The State Of Virginia, Margaret Michel
The Progression Of Lyme Disease In The State Of Virginia, Margaret Michel
Honors Theses
Lyme disease has spread in the United States from the northeast to more southern and western parts of the country. It has been shown that the tick which most often carries the Lyme disease pathogen (Borrelia burgdorferi) in North America, Ixodes scapularis, has also spread to these new areas of concern. In Virginia, the disease has progressed from the eastern shore to the western, more mountainous regions. Through obtaining historical museum specimens of mice from 11 locations in Virginia, we seek to determine whether the Lyme disease causing pathogen, B. burgdorferi, has always been present in …