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Full-Text Articles in Physical Sciences and Mathematics

Exploring Soil Microbial Dynamics In Southern Appalachian Forests: A Systems Biology Approach To Prescribed Fire Impacts, Saad Abd Ar Rafie Dec 2023

Exploring Soil Microbial Dynamics In Southern Appalachian Forests: A Systems Biology Approach To Prescribed Fire Impacts, Saad Abd Ar Rafie

Doctoral Dissertations

Prescribed fires in Southern Appalachian forests are vital in ecosystem management and wildfire risk mitigation. However, understanding the intricate dynamics between these fires, soil microbial communities, and overall ecosystem health remains challenging. This dissertation addresses this knowledge gap by exploring selected aspects of this complex relationship across three interconnected chapters.

The first chapter investigates the immediate effects of prescribed fires on soil microbial communities. It reveals subtle shifts in porewater chemistry and significant increases in microbial species richness. These findings offer valuable insights into the interplay between soil properties and microbial responses during the early stages following a prescribed fire. …


Integration Of Raman Spectroscopy And Python-Based Data Analysis For Advancing Neurobiological Research, Natalie E. Dunn Dec 2023

Integration Of Raman Spectroscopy And Python-Based Data Analysis For Advancing Neurobiological Research, Natalie E. Dunn

Doctoral Dissertations

The field of Raman spectroscopy continues to expand into biological applications due to its usefulness as a non-invasive technique that can be utilized qualitatively and quantitatively. However, the inherent weakness of Raman scattering leads to the need for each collected spectra to undergo a preprocessing step to remove noise, background drift, and cosmic rays. Biological research in particular needs large datasets due to the increased variability in samples. As datasets grow, the need to perform preprocessing on each individual spectra becomes daunting. Often, these steps are done by hand with the help of specialized software programs. Preprocessing can be accelerated …


Multidimensional Investigation Of Tennessee’S Urban Forest, Jillian L. Gorrell May 2023

Multidimensional Investigation Of Tennessee’S Urban Forest, Jillian L. Gorrell

Doctoral Dissertations

Preserving existing trees in urban areas and properly cultivating urban forest conservation and management opportunities is valuable to the ever-growing urban environment and necessary for creating optimal experiences and educational tools to meet the needs of increasing urban populations. This dissertation contains studies investigating several facets of the urban forest, including environmental effects of deforestation and urbanization, tree equity, and urban forest facility management and accessibility. Community education and outreach at arboreta about the importance of the tree canopy can help promote environmental stewardship. A digital questionnaire was electronically distributed to representatives of arboreta certified through the Tennessee Division of …


The Development Of Tailored Amphiphilic Copolymers For Detergent-Free Integral Membrane Protein Extraction, Cameron Edward Workman May 2023

The Development Of Tailored Amphiphilic Copolymers For Detergent-Free Integral Membrane Protein Extraction, Cameron Edward Workman

Doctoral Dissertations

Integral membrane proteins are prolific targets for the design, development, and delivery of pharmaceuticals. In fact, over 60% of all currently available drugs target these proteins to accomplish their therapeutic effect. However, integral membrane proteins remain the least characterized class of all proteins, accounting for only ~2% of all solved protein structures. One of the primary reasons for this low number of solved protein structures is that many membrane proteins lose their native conformation when extracted using conventional methods (e.g. detergents), convoluting accurate structure determination. In contrast, amphiphilic styrene-maleic acid copolymers (SMAs) were recently discovered to readily isolate membrane proteins …


Better Understanding Genomic Architecture With The Use Of Applied Statistics And Explainable Artificial Intelligence, Jonathon C. Romero Aug 2022

Better Understanding Genomic Architecture With The Use Of Applied Statistics And Explainable Artificial Intelligence, Jonathon C. Romero

Doctoral Dissertations

With the continuous improvements in biological data collection, new techniques are needed to better understand the complex relationships in genomic and other biological data sets. Explainable Artificial Intelligence (X-AI) techniques like Iterative Random Forest (iRF) excel at finding interactions within data, such as genomic epistasis. Here, the introduction of new methods to mine for these complex interactions is shown in a variety of scenarios. The application of iRF as a method for Genomic Wide Epistasis Studies shows that the method is robust in finding interacting sets of features in synthetic data, without requiring the exponentially increasing computation time of many …


Design And Development Of The Urban Population Health Observatory To Improve Disease Surveillance And Response, Whitney Brakefield May 2022

Design And Development Of The Urban Population Health Observatory To Improve Disease Surveillance And Response, Whitney Brakefield

Doctoral Dissertations

Chronic and infectious diseases have a profound impact on the quality and length of life of populations that suffer from these conditions. Scientists, physicians, and health officials are seeking innovative approaches to decrease the morbidity and mortality of deadly diseases. Incorporating artificial intelligence and data science techniques across the health science domain could improve disease surveillance, intervention planning, and policymaking. In this dissertation, we describe the design and development of the Urban Population Health Observatory (UPHO), an explainable knowledge-based multimodal big data analytics platform. A common challenge for conducting multimodal big data analytics is integrating multidimensional heterogeneous data sources, which …


Analytical Considerations And Methods For Comprehensive Analysis Of Bacterial Phospholipidomics Using Hilic-Ms/Ms, David Thomas Reeves Dec 2021

Analytical Considerations And Methods For Comprehensive Analysis Of Bacterial Phospholipidomics Using Hilic-Ms/Ms, David Thomas Reeves

Doctoral Dissertations

Omics technologies have rapidly evolved over the last half century through vast improvements in efficient extraction methodologies, advances in instrumentation for data collection, and a wide assortment of informatics tools to help deconvolute sample data sets. However, there are still untapped pools of molecules that warrant further analytical attention. As the frontline defense of the cell against exterior influences, the phospholipid membrane is key in structure, defense, and signaling, but current omics studies are only just now catching up to the potential hidden within cellular lipid profiles. Examination of shifts in phospholipid speciation and character could provide researchers with a …


Birds And Bioenergy: A Modeling Framework For Managed Landscapes At Multiple Spatial Scales, Jasmine Asha Kreig Aug 2021

Birds And Bioenergy: A Modeling Framework For Managed Landscapes At Multiple Spatial Scales, Jasmine Asha Kreig

Doctoral Dissertations

This dissertation examines the design and management of bioenergy landscapes at multiple spatial scales given numerous objectives. Objectives include biodiversity outcomes, biomass feedstock yields, and economic value.

Our study examined biodiversity metrics for 25 avian species in Iowa, including subsets of these species related to ecosystem services. We used our species distribution model (SDM) framework to determine the importance of predictors related to switchgrass production on species richness. We found that distance to water, mean diurnal temperature range, and herbicide application rate were the three most important predictors of biodiversity overall. We found that 76% of species responded positively to …


Investigation Of Interactions Between 1,3 Dialkyl Imidazolium Ionic Liquids And Lignocellulosic Polymers, Aparna Annamraju May 2021

Investigation Of Interactions Between 1,3 Dialkyl Imidazolium Ionic Liquids And Lignocellulosic Polymers, Aparna Annamraju

Doctoral Dissertations

Lignocellulosic biomass is a potential energy source for fuels, chemicals and materials production in a sustainable manner. A network of covalent and non-covalent bonds between the three main polymers of biomass, i.e., cellulose, hemicellulose and lignin, results in a compact structure that is resistant to chemical and biological attacks and therefore challenging for the efficient utilization of lignocellulosic biomass. Ionic liquids (ILs) have been reported to disrupt the bonds between these polymers and dissolve biomass at temperatures below 100 ˚C. Research through the years has shown that biomass pretreatment with IL brings out the selective dissolution of biomass polymers and …


Synthetic Heterosynaptic Plasticity Enhances The Versatility Of Memristive Systems Emulating Bio-Synapse Structure And Function, William T. Mcclintic May 2021

Synthetic Heterosynaptic Plasticity Enhances The Versatility Of Memristive Systems Emulating Bio-Synapse Structure And Function, William T. Mcclintic

Doctoral Dissertations

Memristive systems occur in nature and are hallmarked via pinched hysteresis, the difference in the forward and reverse pathways for a given phenomenon. For example, neurons of the human brain are composed of synapses which apply the properties of memristance for neuronal communication, learning, and memory consolidation. Modern technology has much to gain from the characteristics of memristive systems, including lower power operation, on-chip memory, and bio-inspired computing. What is more, a relationship between memristive systems and synaptic plasticity exists and can be investigated focusing on homosynaptic and heterosynaptic plasticity. Where homosynaptic plasticity applies to interactions between neurons at a …


Data Driven Models Of Hemlock Woolly Adelgid Impacts And Biological Control, Hannah M. Thompson May 2021

Data Driven Models Of Hemlock Woolly Adelgid Impacts And Biological Control, Hannah M. Thompson

Doctoral Dissertations

We present two models of the Adelges tsugae, the hemlock woolly adelgid, an invasive insect pest of Tsuga canadensis, eastern hemlock, in the eastern United States. An A. tsugae infestation often results in the death of T. canadensis within years, and has caused significant changes to hemlock forests. We construct two models composed of systems of ordinary differential equations with time dependent parameters to represent seasonality. The first model captures the coupled cycles in T. canadensis health and A. tsugae density. We use field data from Virginia to develop the model and to perform parameter estimation. The mechanisms …


Probing Structure, Function And Dynamics In Bacterial Primary And Secondary Transporter-Associated Binding Proteins, Shantanu Shukla Dec 2020

Probing Structure, Function And Dynamics In Bacterial Primary And Secondary Transporter-Associated Binding Proteins, Shantanu Shukla

Doctoral Dissertations

Substrate binding proteins (SBPs) are ubiquitous in all life forms and have evolved to perform diverse physiological functions, such as in membrane transport, gene regulation, neurotransmission, and quorum sensing. It is quite astounding to observe such functional diversity among the SBPs even when they are restricted by their fold space. Therefore, the SBPs are an excellent set of proteins that can reveal how proteins evolution novel function in a structurally conserved/constrained fold. This study attempts to understand the phenomenon of affinity and specificity evolution in SBPs by combining a set of biochemical, biophysical, and structural studies on the SBPs involved …


Root Stage Distributions And Their Importance In Plant-Soil Feedback Models, Tyler Poppenwimer Dec 2020

Root Stage Distributions And Their Importance In Plant-Soil Feedback Models, Tyler Poppenwimer

Doctoral Dissertations

Roots are fundamental to PSFs, being a key mediator of these feedbacks by interacting with and affecting the soil environment and soil microbial communities. However, most PSF models aggregate roots into a homogeneous component or only implicitly simulate roots via functions. Roots are not homogeneous and root traits (nutrient and water uptake, turnover rate, respiration rate, mycorrhizal colonization, etc.) vary with age, branch order, and diameter. Trait differences among a plant’s roots lead to variation in root function and roots can be disaggregated according to their function. The impact on plant growth and resource cycling of changes in the distribution …


Approaches To Studying Bacterial Biofilms In The Bioeconomy With Nanofabrication Techniques And Engineered Platforms., Michelle Caroline Halsted Dec 2020

Approaches To Studying Bacterial Biofilms In The Bioeconomy With Nanofabrication Techniques And Engineered Platforms., Michelle Caroline Halsted

Doctoral Dissertations

Studies that estimate more than 90% of bacteria subsist in a biofilm state to survive environmental stressors. These biofilms persist on man-made and natural surfaces, and examples of the rich biofilm diversity extends from the roots of bioenergy crops to electroactive biofilms in bioelectrochemical reactors. Efforts to optimize microbial systems in the bioeconomy will benefit from an improved fundamental understanding of bacterial biofilms. An understanding of these microbial systems shows promise to increase crop yields with precision agriculture (e.g. biosynthetic fertilizer, microbial pesticides, and soil remediation) and increase commodity production yields in bioreactors. Yet conventional laboratory methods investigate these micron-scale …


Using Second Harmonic Generation To Study Gram-Positive Bacterial Membranes, Lindsey N. Miller Dec 2020

Using Second Harmonic Generation To Study Gram-Positive Bacterial Membranes, Lindsey N. Miller

Doctoral Dissertations

Understanding how small-molecules, such as drugs, interact with bacterial membranes can quickly unravel into much more perplexing questions. No two bacterial species are alike, especially when comparing their membrane compositions which can even be altered by incorporating fatty acids from their surrounding environment into their lipid-membrane composition. To further complicate the comparison, discrete alterations in small-molecule structures can result in vastly different membrane-interaction outcomes, giving rise to the need for more "label-free" studies when analyzing drug mechanisms. The work presented in this dissertation highlights the benefits to using nonlinear spectroscopy and microscopy techniques for probing small-molecule interactions in living bacteria. …


Design And Synthesis Of Analogs Of Myo-Inositol, Serine, And Cysteine To Enable Chemical Biology Studies, Tanei J. Ricks Dec 2017

Design And Synthesis Of Analogs Of Myo-Inositol, Serine, And Cysteine To Enable Chemical Biology Studies, Tanei J. Ricks

Doctoral Dissertations

Phosphorylated myo-inositol compounds including inositol phosphates (InsPs) as well as the phosphatidylinositol polyphosphate lipids (PIPns) are critical biomolecules that regulate many of the most important biological processes and pathways. They are aberrant in many disease states due to their regulatory function. The same is true of the phospholipid phosphatidylserine (PS) which can serve as a marker to begin apoptosis. However, the full scope of activities of these structures is not clear, particularly since techniques that enable global detection and analysis of the production of these compounds spatially and temporally are lacking. With all of these obstacles in …


On The Quantification Of Complexity And Diversity From Phenotypes To Ecosystems, Zachary Harrison Marion Dec 2016

On The Quantification Of Complexity And Diversity From Phenotypes To Ecosystems, Zachary Harrison Marion

Doctoral Dissertations

A cornerstone of ecology and evolution is comparing and explaining the complexity of natural systems, be they genomes, phenotypes, communities, or entire ecosystems. These comparisons and explanations then beget questions about how complexity should be quantified in theory and estimated in practice. Here I embrace diversity partitioning using Hill or effective numbers to move the empirical side of the field regarding the quantification of biological complexity.

First, at the level of phenotypes, I show that traditional multivariate analyses ignore individual complexity and provide relatively abstract representations of variation among individuals. I then suggest using well-known diversity indices from community ecology …


Metabolomics Approaches To Decipher The Antibacterial Mechanisms Of Yerba Mate (Ilex Paraguariensis) Against Staphylococcus Aureus And Salmonella Enterica Serovar Typhimurium, Caroline Sue Rempe Aug 2016

Metabolomics Approaches To Decipher The Antibacterial Mechanisms Of Yerba Mate (Ilex Paraguariensis) Against Staphylococcus Aureus And Salmonella Enterica Serovar Typhimurium, Caroline Sue Rempe

Doctoral Dissertations

The increasing prevalence of drug-resistant pathogens is an urgent problem that requires novel methods of bacterial control. Plant extracts inhibit bacterial pathogens and could contain antibacterial compounds with novel mechanisms of action. Yerba mate, a common South American beverage made from Ilex paraguariensis, has antibiotic activity against a broad range of bacterial pathogens. In this work, an attempt was first made to characterize the antibacterial source of an aqueous yerba mate extract by generating a series of extract fractions, collecting GC-MS and antibacterial activity profiles, and then ranking the hundreds of compounds by their presence in fractions with high antibacterial …


Anthrax Models Involving Immunology, Epidemiology And Controls, Buddhi Raj Pantha Aug 2016

Anthrax Models Involving Immunology, Epidemiology And Controls, Buddhi Raj Pantha

Doctoral Dissertations

This dissertation is divided in two parts. Chapters 2 and 3 consider the use of optimal control theory in an anthrax epidemiological model. Models consisting system of ordinary differential equations (ODEs) and partial differential differential equations (PDEs) are considered to describe the dynamics of infection spread. Two controls, vaccination and disposal of infected carcasses, are considered and their optimal management strategies are investigated. Chapter 4 consists modeling early host pathogen interaction in an inhalational anthrax infection which consists a system of ODEs that describes early dynamics of bacteria-phagocytic cell interaction associated to an inhalational anthrax infection.

First we consider a …


Biophysical Studies Of Cell Division Protein Localization Mechanisms In Escherichia Coli, Matthew Wayne Bailey May 2016

Biophysical Studies Of Cell Division Protein Localization Mechanisms In Escherichia Coli, Matthew Wayne Bailey

Doctoral Dissertations

How nanometer-scale proteins position accurately within micron-scale bacteria has intrigued both biologists and physicists alike. A critical process requiring precise protein localization is cell division. In most bacteria, cell division starts with the self-assembly of the FtsZ proteins into filaments that form a ring-like structure encircling the cell at its middle, the Z-ring. The Z-ring is a scaffold for additional proteins that synthesize the lateral cell wall which separates the two daughter cells. If division planes are misplaced relative to bacterial chromosomes, also called nucleoids, daughter cells with incomplete genetic material can be produced. In Escherichia coli, research carried out …


Modeling Feral Hogs In Great Smoky Mountains National Park, Benjamin Anthony Levy May 2016

Modeling Feral Hogs In Great Smoky Mountains National Park, Benjamin Anthony Levy

Doctoral Dissertations

Feral Hogs (Sus scrofa) are an invasive species that have occupied the Great Smoky Mountains National Park since the early 1900s. Recent studies have revitalized interest in the pest and have produced useful data. The Park has kept detailed records on mast abundance as well as every removal since 1980 including geographic location and disease sampling. Data obtained via Lidar includes both overstory as well as understory vegetation information. In this dissertation, three models were created and analyzed using the detailed data on vegetation, mast, and harvest history. The first model is discrete in time and space and …


Bacterial Diversity And Function Within An Epigenic Cave System And Implications For Other Limestone Cave Systems, Kathleen Merritt Brannen-Donnelly Dec 2015

Bacterial Diversity And Function Within An Epigenic Cave System And Implications For Other Limestone Cave Systems, Kathleen Merritt Brannen-Donnelly

Doctoral Dissertations

There are approximately 48,000 known cave systems in the United States of America, with caves formed in carbonate karst terrains being the most common. Epigenic systems develop from the downward flow of meteoric water through carbonate bedrock and the solutional enlargement of interconnected subsurface conduits. Despite carbonate karst aquifers being globally extensive and important drinking water sources, microbial diversity and function are poorly understood compared to other Earth environments. After several decades of research, studies have shown that microorganisms in caves affect water quality, rates of carbonate dissolution and precipitation, and ecosystem nutrition through organic matter cycling. However, limited prior …


Engineering Photosystem I Complexes For Use In Bio-Hybrid Dye-Sensitized Solar Cells, Richard Franklin Simmerman Aug 2015

Engineering Photosystem I Complexes For Use In Bio-Hybrid Dye-Sensitized Solar Cells, Richard Franklin Simmerman

Doctoral Dissertations

Increasing global population, growing per capita energy needs, diminishing fossil fuels, and climate change collectively will require new, innovative, and sustainable alternatives to meet the world’s growing energy needs. One of the most promising yet simple approaches are dye-sensitized solar cells (DSSCs). However, conventional DSSCs use semi-conductor anodes sensitized with complex synthetic organometallic dyes. Most dyes utilize ruthenium complexes to absorb photons, which upon excitation, inject electrons into the anode, while holes migrate to the cathode via liquid electrolyte. However, these dyes are expensive, difficult to make, and resource-limited. This dissertation focuses on replacing synthetic dyes with the naturally occurring, …


Evidence Of Late Quaternary Fires From Charcoal And Siliceous Aggregates In Lake Sediments In The Eastern U.S.A., Joanne P. Ballard Aug 2015

Evidence Of Late Quaternary Fires From Charcoal And Siliceous Aggregates In Lake Sediments In The Eastern U.S.A., Joanne P. Ballard

Doctoral Dissertations

The late-glacial transition to the Holocene, 15,000–11,600 cal yr BP, is an enigmatic period of dynamic global changes and a major extinction event in North America. Fire is an agent of disturbance that transforms the environment physically and chemically, and affects plant community composition. To improve understanding of the linkages between fire, vegetation, and climate over the late glacial and Holocene in the eastern U.S., I analyzed lake-sediment cores for charcoal and indicators of wood ash, and compared results to existing pollen records. A new microscopic charcoal record from Anderson Pond, Tennessee revealed high fire activity from 23,000–15,000 cal yr …


Nanoscaled Cellulose And Its Carbonaceous Material: Application And Local Structure Investigation, Yujie Meng Aug 2015

Nanoscaled Cellulose And Its Carbonaceous Material: Application And Local Structure Investigation, Yujie Meng

Doctoral Dissertations

In this dissertation, cellulose nanocrystals three-dimensional morphology, size distribution, and the crystal structure were statistically and quantitatively investigated. Lognormal distribution was identified as the most likely for cellulose nanocrystals’ size distribution. Height and width dimensions were shown to decrease toward the ends from the midpoint of individual CNCs, implying a spindle-like shape. XRD analysis of crystallite size accompanied with TEM and AFM measurements revealed that the cross-sectional dimensions of individual switchgrass CNC were either rectangular or elliptical shape, with an approximately 3~5 nm [nanometer] lateral element length range. A sponge-like carbon aerogel from microfibril cellulose with high porosity, ultra-low density, …


Elucidating The Impact Of Roseophage On Roseobacter Metabolism And Marine Nutrient Cycles, Nana Yaw Darko Ankrah May 2015

Elucidating The Impact Of Roseophage On Roseobacter Metabolism And Marine Nutrient Cycles, Nana Yaw Darko Ankrah

Doctoral Dissertations

As the most abundant biological entities in marine environments, viruses are an important component of marine food webs. The activity of viruses contributes significantly to the mortality of marine microorganisms, ultimately influencing biological function and chemical composition of aquatic systems by impacting species composition and flow of carbon, nitrogen and other nutrients. Despite the growing recognition that viral activity contributes to marine biogeochemical cycles, the extent to which virus infection reshapes host metabolism and the effect of this alteration on the composition of host lysate remains poorly understood. Additionally, the degree to which natural bacterioplankton communities metabolise the released lysate …


New Remote Sensing Methods For Detecting And Quantifying Forest Disturbance And Regeneration In The Eastern United States, Michael Joseph Hughes Aug 2014

New Remote Sensing Methods For Detecting And Quantifying Forest Disturbance And Regeneration In The Eastern United States, Michael Joseph Hughes

Doctoral Dissertations

Forest disturbances, such as wildfires, the southern pine beetle, and the hemlock woolly adelgid, affect millions of hectares of forest in North America with significant implications for forest health and management. This dissertation presents new methods to quantify and monitor disturbance through time in the forests of the eastern United States using remotely sensed imagery from the Landsat family of satellites, detect clouds and cloud-shadow in imagery, generate composite images from the clear-sky regions of multiple images acquired at different times, delineate the extents of disturbance events, identify the years in which they occur, and label those events with an …


Associations Of Total Activity Counts And Physical Activity Intensity Levels With The Metabolic Syndrome: A Structural Equation Modeling Approach, Dana Lizbeth Wolff May 2014

Associations Of Total Activity Counts And Physical Activity Intensity Levels With The Metabolic Syndrome: A Structural Equation Modeling Approach, Dana Lizbeth Wolff

Doctoral Dissertations

To clarify the protective benefits of physical activity (PA), epidemiologists and public health researchers continue to seek improved methods of assessing PA. In particular, accelerometers have gained acceptance with researchers as they provide reliable estimates of PA and can record both the amount and intensity of ambulatory movement. However, there is concern that accelerometer data reduction techniques may not provide quantitatively accurate measurements of time spent in various PA intensity categories. One way to circumvent these inaccuracies is to use the accelerometer-derived total activity counts (TAC), which is a more direct expression of what the monitor records.

In order to …


Genetic Analysis Of Bacterial Gene Variations In Sulfidic Springs And The Influence On Geochemistry, Brendan Joseph Headd Aug 2013

Genetic Analysis Of Bacterial Gene Variations In Sulfidic Springs And The Influence On Geochemistry, Brendan Joseph Headd

Doctoral Dissertations

Culture-independent methods have revolutionized environmental microbiology and geomicrobiology studies and next-generation sequencing and metagenomics techniques continue to reveal the vast genetic diversity of microorganisms. But, these approaches provide comparatively little quantitative information about the roles that naturally occurring microbial gene variations play in local biogeochemical cycling. The goal of this study was to identify how the physical distribution and genetic diversity of microbial genes within a habitat impact environmental geochemistry by examining the biogeography of 16S rRNA genes and bacterial sulfur oxidation (Sox) genes in terrestrial sulfidic springs. 16S rRNA gene pyrosequences were obtained from microbial mats inhabiting eight sulfidic …


Application Of Computational Molecular Biophysics To Problems In Bacterial Chemotaxis, Davi Ortega May 2013

Application Of Computational Molecular Biophysics To Problems In Bacterial Chemotaxis, Davi Ortega

Doctoral Dissertations

The combination of physics, biology, chemistry, and computer science constitutes the promising field of computational molecular biophysics. This field studies the molecular properties of DNA, protein lipids and biomolecules using computational methods. For this dissertation, I approached four problems involving the chemotaxis pathway, the set of proteins that function as the navigation system of bacteria and lower eukaryotes.

In the first chapter, I used a special-purpose machine for molecular dynamics simulations, Anton, to simulate the signaling domain of the chemoreceptor in different signaling states for a total of 6 microseconds. Among other findings, this study provides enough evidence to propose …