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 4 of 4 for “"three-dimensional fragment"”.
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Synthesis of a Diverse and Three-Dimensional Fragment Collection and The Development of a Novel Platform for Antibody Dual Functionalisation
… of a library of small molecules suitable for fragment-based screening. Over the past two decades, fragment-based drug discovery (FBDD) has emerged as a powerful strategy for early-stage drug discovery. However, despite its many successes, FBDD often suffers from the lack of synthetic …
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Large-Scale Atomistic Simulations of Complex and Functional Properties of Ferroic Materials
… Hamiltonian (HEff) method and the linear-scaling three-dimensional fragment (LS3DF) method. I use these methods to explore optical rotation in FE vortices, electro-optic effects in FE vortices and skyrmions, and voltage amplification via negative capacitance in ferroelectric-paraelectric …
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Synthesis of Structurally Diverse N-Substituted Quaternary Carbon Containing Small Molecules and Their Application as Novel Starting Points for Drug Discovery
… uneven exploration of chemical space. Whilst fragment-based screening has proven a fruitful strategy for identifying novel bioactive small molecules, in a similar vein to high-throughput screening approaches, obstacles within this paradigm have been recognised. This relates to a lack of …
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Studies within Fragment-Based Drug Discovery: Library Synthesis and Hit-to-Lead Optimisation
… projects aimed at addressing challenges within fragment-based drug discovery. The first project describes efforts towards utilising synthetic methodology to address deficiencies within fragment screening collections. This involved the development of a modular, robust and scalable route to access …