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Skip to Search Results- 11Graduate and Postdoctoral Studies (GPS), Faculty of
- 11Graduate and Postdoctoral Studies (GPS), Faculty of/Theses and Dissertations
- 4WISEST Summer Research Program
- 4WISEST Summer Research Program/WISEST Research Posters
- 1Biochemistry, Department of
- 1Biochemistry, Department of/Journal Articles (Biochemistry)
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Computational Investigations on Excited State Properties of Cyanine Dyes and Carbene-bound Main Group Elements
DownloadFall 2015
The first section of this thesis is concerned with the computational study of excited state properties of boron-dipyrromethene (BODIPY) organic dyes using ab initio and time-dependent density functional theory (TD-DFT) methods. Through a comprehensive benchmark of TD-DFT methods against...
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Computational Studies of Electronic Excited States, or: How I Learned to Stop Worrying and Love Multireference Methods
DownloadFall 2019
Modelling electronic excited states is important in the search to understand molecular properties. Vacuum ultraviolet (VUV) spectroscopy can be used to identify different isomers in complicated mixtures of many molecules. In this Thesis, calculated VUV spectra were compared with spectra of...
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Force spectroscopy of the frameshift signal from West Nile virus reveals multiple folding pathways and structural heterogeneity
DownloadSpring 2019
Programmed ribosomal frameshifting (PRF) represents an important mechanism for translational genetic recoding, especially in viruses. The components of a PRF stimulator have been well characterized, though accounting for the variation in the frameshift stimulating efficiency has thus far been...
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In-silico Methods for Drug Discovery: Applications of Molecular Dynamics, Drug Docking, and Machine Learning
DownloadSpring 2024
Drug discovery is a venture that is costly in both time and money. In-silico methods are a core part of biomedical research, from traditional tools such as drug docking and molecular dynamics to newer machine learning frameworks, all of which are more efficient in both time and cost compared to...
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Investigating the Early Phases of Aerosol Particle Nucleation: A Broadband Rotational Spectroscopic and Computational Study
DownloadFall 2023
Atmospheric aerosols consist of solid or liquid particles suspended in air with sizes ranging from a few nanometers to several micrometers. Aerosols have the ability to both scatter and absorb incoming solar radiation, directly influencing Earth’s energy budget and resulting in either cooling or...
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Spring 2024
Despite recent advancements in molecular dynamics (MD) methods, the computational costs of \emph{ab initio} molecular dynamics simulations for explicit solvation systems are still too significant. If accuracy is to be left uncompromised, new methods must be employed to reduce computational...
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Molecular assays to detect the presence and viability of Phytophthora ramorum and Grosmannia clavigera
Download2020-02-01
Wong, Barbara, Leal, Isabel, Feau, Nicolas, Dale, Angela, Uzunovic, Adnan, Hamelin, Richard C.
Wood and wood products can harbor microorganisms that can raise phytosanitary concerns in countries importing or exporting these products. To evaluate the efficacy of wood treatment on the survival of microorganisms of phytosanitary concern the method of choice is to grow microbes in petri dishes...
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Molecular cloning of cDNA encoding a 55-kDa multifunctional thyroid hormone binding protein of skeletal muscle sarcoplasmic reticulum
Download1990-01-01
Fliegel, Larry, Newton, E., Burns, K., Michalak, M.
A cDNA clone encoding 55-kDa multifunctional, thyroid hormone binding protein of rabbit skeletal muscle sarcoplasmic reticulum was isolated and sequenced. The cDNA encoded a protein of 509 amino acids, and a comparison of the deduced amino acid sequence with the NH2-terminal amino acid sequence...
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2021-01-01
Among clinical imaging techniques it is common to monitor cellular biochemical processes using “molecular lanterns” in the form of light-emitting proteins or RNA nucleobases. Naturally occurring RNA nucleobases do not emit light (fluoresce) and thus, cannot be directly used for this purpose....