Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 18 of 18 for “"biomolecular structure"”.
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Solid-State NMR: investigations of biomolecular structure
… resonance methods were used to characterize the structure of biological molecules in lyophilized and hydrated environments with and without the presence of other molecules such as drugs, lipids, and surfaces. Revealing the structure of biomolecules by mimicking its natural environment, …
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Dynamic membrane interfaces shape biomolecular structure and function
Submission original under an indefinite embargo labeled 'Open Access'. The submission was exported from vireo on 2024-09-16 without embargo terms
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Solid state nuclear magnetic resonance methodology for biomolecular structure determination
Several developments in solid state nuclear magnetic resonance (SSNMR) spectroscopy methods are presented. All studies are performed with magic angle spinning (MAS) and high-power proton decoupling, for optimal sensitivity and resolution. Chemical shift are assigned by multi-dimensional correlation …
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Development of Neural Networks for Biomolecular Structure Prediction with Applications to Protein Design
… models of the interactions betweenabitrary biomolecular structures. In this dissertation, I describe the development of neural network models for predicting the structure of biomolecular complexes including proteins, nucleic acids, and small molecules. First, we developed a general neural …
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Mass Spectrometry-Based Strategies for Biomolecular Structure Analysis: Steroid Metabolites Structures and Protein-Protein Interactions
… is an important method for studying the structure of both small molecules and large biomolecules (e.g., proteins). The majority of the applications prior to 1970 were focused on small molecules, owing to the limited ionization methods which posed difficulties in producing gas-phase ions …
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Extending the Boundaries of the Usage of NMR Chemical Shifts in Deciphering Biomolecular Structure and Dynamics
… for their use for the characterisation of the structures of protein and nucleic acids, recent developments in prediction methodologies and their successful implementation in resolving the structures of these molecules have clearly demonstrated that such barrier can be crossed. Furthermore, the …
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Recognition, stability, and assembly in protein folding and protein-DNA interactions
… fundamental forces and mechanism which determine biomolecular structure and function is crucial to utilizing proteins and nucleic acids as therapeutic agents, as research tools, and in industrial and environmental applications. To elucidate the principles of macromolecular assembly and …
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NMR-Based Characterization of Proteins: Structure, Dynamics and Binding Interfaces of Influenza A's M1
Biomolecular structure, dynamics and interactions are fundamental for understanding how living systems operate at atomic scale. Proteins and nucleic acids carry out most processes essential to life, and they are equally central to the molecular mechanisms underlying disease. Addressing major …
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Inference Time Search for Protein Structure Prediction
… gains have not yet been made in the field of biomolecular structure prediction. We introduce a new paradigm for inference-time search by adding architectural components and a finetuning procedure to state-of-the-art structure prediction models that give rise to a discrete latent space. We …
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Noncovalent adsorption of nucleotides in gold nanoparticle DNA conjugates : bioavailability at the bio-nano interface
The practical viability of biomolecule-nanostructure hybrids depends critically on the functional and structural stability of biomolecules in application environments. Noncovalent interactions of biochemical functional groups with nanostructure surfaces can significantly disrupt biomolecular …
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Solid state nuclear magnetic resonance methodology and applications to structure determination of peptides, proteins and amyloid fibrils
… solid-state nuclear magnetic resonance to biomolecular structure determination are presented. Studies are performed in uniformly 3C, 15N isotope labeled samples with magic-angle spinning for optimal resolution and sensitivity. Frequency selective rotational-echo double-resonance (FSR) and …
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Probing biomolecular reactions and self-assembly in microfluidic systems for quantitative measurements and therapeutic applications
… is used to create otherwise inaccessible structures, designed to modulate biological systems in a controlled way. More specifically, this thesis studies the effect of shear in the microfluidic devices on the structure of a protein and its reactivity. Using a microfluidic device for …
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New Tools for Structural Biology and Biophysics: High-Throughput Fluorine Solid-State NMR and Applications to Membrane Proteins
… is a powerful method for characterizing the structure and dynamics of crystalline and amorphous solid compounds, materials, and biological systems. When applied to biomolecular systems such as membrane proteins, it can provide access to information about structure and dynamics in native …
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Optimal Point Charge Approximation: from 3-Atom Water Molecule to Million-Atom Chromatin Fiber
… research. Issues addressed range from structure-function relationships to structure-based drug design. The ability of these methods to address biologically relevant problems is largely determined by their accurate treatment of electrostatic interactions in the target biomolecular …
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PROCESSES FOR IDENTIFYING IMPORTANT CHEMISTRY AND BIOCHEMISTRY CONCEPTS AND REPRESENTATIONS AND THEIR QUALITATIVE ASSESSMENT IN UNDERGRADUATE BIOLOGY COURSES
… themes: properties of water, chemical bonds and biomolecular structure and function; (bio)chemical reactions, enzymes, cellular processes and their regulation; thermodynamics including chemical equilibrium, ATP and membrane transport; acids and bases; solutions, mixtures and analytical …
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Single-molecule methods for an improved understanding of biophysical interactions: from fundamental biology to applied nanotechnology
… currently unable to give a detailed picture of biomolecular structure at the nano-bio interface. As a result, local electronic properties, bioavailability, toxicological effects, and basic molecular structure and conformation of biomolecules on nanoparticles remain unclear. Single-Walled …
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State-of-the-art REDOR and TEDOR methods for elucidation of protein structure and interactions
Protein structure determination is vital for elucidating their function, folding or misfolding pathways, and their interaction with other biomolecules, small molecules and membranes. In the field of neurodegenerative disorders like Parkinson’s Disease and Alzheimer’s Disease, amyloid fibrils that …
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Antimycobacterial, docking and molecular dynamic studies of pentacyclic triterpenes from Buddleja saligna leaves
… and ursolic acid-3-acetate, respectively. The structures of these compounds were fully characterized by detailed nuclear magnetic resonance (NMR) investigations, which included 1H and 13C NMR. Molecular docking studies predicted the free binding energy of the four triterpenes inside the steroid …