Molecular dynamics of modified Cystic Fibrosis Transmembrane Regulator protein:
Cystic Fibrosis Transmembrane Regulator protein is a chloride transport regulator that plays a central role in the pathology of Cystic Fibrosis, one of the most common genetic disorders in man. In this series of experiments, we create custom mutations in the CFTR in effort to observe if any compensatory mutations can be found. Mutations that appear to compensate for the decreased function in mutant CFTR will be studied to see if this "compensatory effect" can be mimicked by the presence of small molecules.
Molecular dynamics and ligand-receptor interactions using Quantum Computers:
Up until now most of humanity's advanced quantitation of molecular systems was carried out on classical (regular) computers. Through iterations of processing architectures and through the evolution of components, computation of a given system has accelerated to a significant degree. However, the accurate study of large and complex molecular systems is still a hurdle that researchers are trying to overcome. Quantum computing holds promise for solving large problems of these types as they are much faster in solving highly parallelized workloads. In this study, the creation of a ligand-receptor docking software in a Quantum computing development environment will be attempted. If successful, this will be a solid foundation for experiments that can be run when viable fully quantum systems arrive at research institutions.
Smart devices in Healthcare:
Alexa and Google Home are now the most ubiquitous examples of consumer artificial intelligence products that are on the market. However these devices have seen less success in their adoption in the industrial sector. An interesting prospect that looms in the near future is the advent of the "smart business." Much like the smart home, a smart business will consist of IOT (internet of things) devices that can exchange data for the benefit of the users. In Healthcare, this concept has taken hold in a "patchy" fashion, as many devices are already configured to relay data wirelessly in one direction to nursing hubs (i.e. IV pumps, Telemetry monitors, Bed alarms, etc...) but outside of the inpatient setting, IOT level intra-device communication is less common. In this project we will use various SDKs to create a smart outpatient clinic.
Nootropic compound mechanisms of action:
"Nootropic" when first mentioned in conversation conjures up flashbacks to the movie "Limitless," where Bradley Cooper plays a down on his luck writer whos life is turned around by an intelligence enhancing pill called NZT. In reality, the effect of cognitive enhancing chemicals is much much milder. Still, this domain is of significant interest in that some substances that exert nootropic effects coincidentally have ameliorating effects for patients with Alzheimer's or Parkinson's disease. Of the large variety of compounds that have been classified as nootropics, few are researched in depth, and even fewer are approved by the FDA for treatment of any disorder. In this study we will select the most popular nootropics that are not FDA approved or well researched and perform in silico experiments to narrow their likely sites of action.