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 6 of 6 for “"Metadynamic"”.
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Small Molecule Binding to Disordered Proteins
… computational ensemble determination techniques (metadynamic metainference) to characterise small molecule interactions with disordered proteins. After an introduction to the field in Chapter 1, I focus on the interaction of a drug-like molecule with a peptide from an oncogenic transcription …
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Investigation of rolling variables on the structure of steel.
… and, at suitably high strains, dynamic and metadynamic recrystallisation. Only a small amount of static recovery precedes static recrystallisation. Nucleation for recrystallisation occurs at preferential sites, particularly serrated boundaries and triple junctions of the deformed prior …
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Microstructural evolution during hot deformation of the 6061 aluminium alloy based Al₂O₃ metal matrix composites
… 1 to 5 /s in the composites there is a region of metadynamicre crystallization; v) at strain rates above 5 /s dynamic recrystallization occurs. The mixed static/metadynamic recrystallization kinetics (static or dynamic nucleation and static growth of recrystallized grains) in the composites in the …
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On the aberrant nature of tau protein: biophysical approaches to characterise and target aggregation in neurodegeneration
… achieve this, we have combined the advantages of metadynamic structural biology and bioorthogonal chemistry to investigate the relative contributions of site-specific PTMs to the stability of tau-microtubule interactions. Our experiments, validated by *in silico* predictions, revealed a strong …
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The influence of rough rolling conditions on austenite evolution in peritectic microalloyed plate steels
… of 0.15 are thresholds where both static and metadynamic recrystallization may be responsible for grain refinement. An optimum uniform austenite microstructure was found when pass strains were at least 0.15. FEM showed that the equivalent plastic strain is concentrated at the centre of an …
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Multiscale Molecular Modelling and Advanced Simulations of Dynamic Supramolecular Systems
L'abstract è presente nell'allegato / the abstract is in the attachment