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 20 of 535 for “"Binding Affinity"”.
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Binding Affinity of Flavins to the Dehydrogenase Domain of SpNOX
… connected by a linker. The DH domain contains binding sites for FAD and NADPH/NADH that both participate in the electron transfer necessary for producing superoxide. Structural information of NOX’s is still relatively new to the scientific community. A recent structure of CsNOX …
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The engrailed homeodomain : determinants of DNA-binding affinity and specificity
Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Biology, 1995.
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Support Vector Machine-based Fuzzy Systems for Quantitative Prediction of Peptide Binding Affinity
Reliable prediction of binding affinity of peptides is one of the most challenging but important complex modelling problems in the post-genome era due to the diversity and functionality of the peptides discovered. Generally, peptide binding prediction models are commonly used to find out whether a …
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Binding affinity of a small molecule to an amorphous polymer in a solvent
… we hypothesize a possible correlation between binding affinity to a surface and nucleation enhancement. Amorphous polymers have been used in controlling crystallization. However, to our knowledge no attempt has been made to investigate the possibility of using binding affinity to help guide the …
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Glucocorticoid Receptor Density and Binding Affinity in Horses with Systemic Inflammatory Response Syndrome
… the glucocorticoid receptor (GR) density and binding affinity (BA) in equine peripheral blood mononuclear cells. The second was to determine if there was a correlation between elevated plasma cortisol and GR density or binding affinity in healthy adult horses. The third objective was to …
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Protein-Ligand Binding Affinity Directed Multi-Objective Drug Design Based on Fragment Representation Methods
… optimization, and (2) applying protein-ligand binding affinity scores together with other desired physicochemical properties as objectives. Our experiments show that the proposed method can generate novel molecules with improved property values and binding affinities.
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Engineering streptavidin and its target ligands with both infinite binding affinity and reversible binding capability
… bioreactors, protein arrays, and matrices for affinity purification of proteins, it would be ideal for streptavidin to have extremely tight binding to its target ligands (biotin and its binding tags) and at the same time to retain the feature of reversible binding capability. To achieve this …
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Computational analysis, design, and experimental validation of antibody binding affinity improvements beyond in vivo maturation
… methods for the analysis and design of high-affinity protein interactions using a combination of high-resolution structural data and physics-based molecular models. First, computational analysis was used to investigate the molecular basis for the affinity improvement of over 1000-fold of the …
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Biomolecular ligand design : enhancing binding affinity and specificity utilizing electrostatic charge optimization and packing techniques
… and methods to design ligands with enhanced binding affinity and specificity for use as biological therapeutics were developed. These methods involve electrostatic charge optimization techniques and packing considerations. First, a detailed investigation of a transition state analog (TSA) …
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The structural basis of chemokine binding affinity and receptor selectivity: Role of receptor N-terminal domain
Chemokines recruit leukocytes by binding and activating 7-transmembrane G-protein coupled receptors present on the cell surface. Ligand-receptor interaction is complex and involves a broad range of affinities and selectivities. Furthermore, receptor binding involves interaction of both monomeric …
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A thermodynamic study of the effects of membrane composition on the binding affinity of annexin a5.
… they are a model system for peripheral membrane binding proteins. One member, annexin a5, binds membranes enriched in the acidic phospholipid, phosphatidylserine, and calcium ion. We find by Isothermal Titration Calorimetry (ITC) that annexin a5 binds calcium ions with much higher affinity in the …
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Specific Binding Affinity of the Non-Catalytic Domain of Eukaryotic Like Type IB Topoisomerase of vaccinia Virus
… domain (NTD) is important for pre-cleavage binding and affinity for the target site. A combination of NMR-based interaction studies, the measurement of backbone dynamics using <sup>15</sup>N relaxation measurements, and isothermal calorimetry (ITC) is used in this work to show that the NTD …
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De novo design of passively permeable cyclic peptides and incorporation of noncanonical amino acids to improve predicted binding affinity
… oral availability of small molecules with the binding specificity of larger biologics. However, achieving both of these features in a single designed cyclic peptide has remained elusive, with the majority of clinically approved cyclic peptides being derived from natural products. In order to …
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Automated Ligand Design in Simulated Molecular Docking - Optimising ligand binding affinity through the application of deep Q-learning to docking simulations
… novel antagonists for the adenosine triphosphate binding site of Plasmodium falciparum phosphatidylinositol 4-kinase, an enzyme essential to the malaria parasite's development within an infected host.
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The Development of 2,3-Diarylindenes as Integrated Fluorescent Estrogens
… to other triarylethylenes. The estrogen receptor binding affinities of the indenes, indenones, and other triarylethylenes were related to the torsional and valence angles at the double bond. The intrinsic fluorescence of the 2,3-diarylindenes was found at too short of a wavelength (420 nm) to be …
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Optimization of Receptor-Interacting Protein Kinase 2 (RIPK2) Inhibitors and Development of Mixed Lineage Kinase Domain-Like (MLKL) Activators
… our lab discovered compound UH15-22 capable of binding MLKL and inducing necroptosis. However, the compound displayed off-target activity and low binding affinity. Therefore, we aimed to modify UH15-22 to enhance its selectivity and binding affinity for MLKL. Utilizing structure-activity …
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Computational modeling of protein-biomolecule interactions with application to mechanotransduction and antibody maturation
… mechanisms influencing protein-biomolecule binding interactions is important both for fundamental knowledge and as a foundation for therapeutic applications and biotechnology. This thesis presents two applications of computational modeling to study protein-biomolecule binding in different …
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Selection and characterization of DNA aptamers for estradiol and ethynylestradiol for aptasensor development
… (3) study the effect of immobilization on the binding affinity of the selected E2 and EE aptamers. A review of ~80 aptamers and ~200 aptasensors for small organics was conducted to identify factors that affect binding affinity of the aptamer and limits of detection (LODs) of the aptasensor. …
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