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 19 of 19 for “"Models, Molecular"”.
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Characterising pathways driving aggressive biology and chemoresistance in triple negative breast cancers biology and chemoresistance in triple negative breast cancers
… in a series of in vitro TNBC cell line models. Molecular characterisation and comparison of drug resistant models allowed for the identification of promising druggable targets, whose efficacy in restoring chemosensitivity was assessed via a number of methods, including RNAi, CRISPR, and …
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Signal Transduction and Gene Regulation in Cerebral Arteries Following Ischemia
The thesis consideres the molecular events that take place in the cerebral arteries following a stroke. The degree and temporal course of reperfusion following a stroke is pivotal for the survival of the neuronal tissue in the penumbra. Previous investigations have revealed upregulation of …
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ASCL2 Positive Tumor Cells Modulate the Response of Metastatic Colorectal Cancer to MAPK-Targeting Therapy
… we use a combination of patient-derived CRC models, clinical data, engineered models, molecular barcoding and next generation sequencing to elucidate novel mechanisms contributing to MAPKi limited durability. We show that MAPKi therapy results in the enrichment of stem-programs in patient …
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Protein Structure and Ion Binding in Potassium Selective Channels
Potassium channels play a central role in a number of biological processes, most classically the action potential of excitable cells in multicellular organisms. These channels are defined by their selective conduction of potassium to the exclusion of other monovalent ions as governed by a common …
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Biochemical Reconstitution and Functional Characterization of the WAVE Regulatory Complex
Members of the Wiskott-Aldrich syndrome protein (WASP) family (WASP, N-WASP, WAVE 1-3) have a central role in the transmission of the extracellular signals to the actin cytoskeleton. These proteins use their C-terminal VCA domain to stimulate the actin-nucleating activity of Arp2/3 complex in …
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The binding and activation of the glucagon-like peptide-1 receptor by exendin-4
… and various receptor variants. Computer models, molecular dynamics coupled with in silico mutagenesis, were used to model and interpret the data. Key results The membrane-tethered NTDs of hGLP-1R displayed similar affinity for GLP-1 and EX4 in contrast to previous studies using the …
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A Fragile Native State Structure: An Aryl Hydrocarbon Receptor Nuclear Translocator (ARNT) Variant Exhibits Slow Interconversion Kinetics Between two Different Folds
… of PAS domains are involved in many intermolecular interactions with other proteins and natural cofactors in order to detect environmental changes in sensor PAS proteins. As part of a study of the HIF-2 alpha and ARNT PAS-B heterodimer, site-directed mutagenesis was performed on the ARNT …
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Protein Composition and Subcellular Localization of the De Novo Lipogenic Metabolon
Pages 11-34 are incorrectly numbered as pages 9-32, and pages 35-124 are incorrectly numbered as pages 34-123.
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HAMP Domain and Signaling Mechanism of the Aer Protein
<p><em>Escherichia coli</em> utilizes the Aer protein to sense changes in the intracellular energy level and guide the bacteria to a niche where the cellular energy level is optimal. Aer contains a PAS sensory domain and an FI fragment in the N terminus and a chemotaxis signaling domain in the C …
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Structural Dynamics and Signaling Roles of the Aer PAS and F1 Regions
… data, as well as <em>ab initio </em>and homology models of the PAS, N-terminal region of the F1 (both based on MmoS) and the HAMP domain (based on Af1503), we constructed a working model of the Aer trimer of dimers. Based on this model, the PAS domains and F1 regions circumscribe the HAMP domain, …
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New alkylpiperazines as 5-HT7R ligands
… 5-HT1A. Inoltre sono stati effettuati studi di molecular modeling al fine di valutare le specifiche interazioni dei nuovi ligandi con il recettore 5-HT7.
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Molecular modeling of water and aqueous electrolytes under electric field: thermal, dielectric, and transport properties
… electrolytes. Altogether, this work offers molecular-level under-standing of electro-thermal transport phenomena and creates a foundation for modeling water and electrolyte system for energy device.
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High Dimensional Non-Linear Optimization of Molecular Models
Molecular models allow computer simulations to predict the microscopic properties of macroscopic systems. Molecular modeling can also provide a fully understood test system for the application of theoretical methods. The power of a model lies in the accuracy of the parameter values which govern its …
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A Multiscale Method for Simulating Fracture in Polycrystalline Metals
… system are performed at the atomic level using molecular dynamics simulation and are mapped into cohesive zone models for continuum modeling within a finite element framework. Fracture along grain boundaries typically exhibit a dependence of crack tip processes (i.e. void nucleation in brittle …
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Towards exact molecular dynamics simulations with invariant machine-learned models
Molecular dynamics (MD) simulations constitute the cornerstone of contemporary atomistic modeling in chemistry, biology, and materials science. However, one of the widely recognized and increasingly pressing issues in MD simulations is the lack of accuracy of underlying classical interatomic …
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Evolution and functional specializations in nocturnal environments: insights from visual pigments in Chiroptera
… pressures shaped sensory adaptation. At the molecular level, vision is initiated through activation of visual pigments, light-sensitive complexes expressed in photoreceptor cells in the retina that have been shown to evolve in response to changes in ecology and light environment. In this …
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Multiphysics Transport in Heterogeneous Media: from Pore-Scale Modeling to Deep Learning
… are investigated at the single-pore scale using molecular dynamics simulations. In the single-component gas recovery, a super-diffusive scaling law was found for the gas production due to the strong gas adsorption-desorption effects. For binary gas (methane/ethane) mixtures, surface adsorption …
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The Role of Mesenchymal Cells in the Regeneration of Salivary Gland Tissue
… when developing cell cultures and organoid models. 23 In order to investigate the impact of PSS on the ability of cells to proliferate and perform a rudimentary regenerative function, the group developed cell cultures that were representative of epithelial and mesenchymal cell types and …
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Molecular Simulation of Mutation Effects on Protein Folding and Function
… binding, signaling, mechanical functions, or biomolecular catalysis. While much experimental work has been done to elucidate protein structure and conformational dynamics, Molecular Dynamics (MD) simulations have been necessary to provide atomic-level details of biomolecular dynamics. A challenge …