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-chemical-physics/ ) led by Prof. Alexandre Tkachenko at the Department of Physics and Material Science, we are looking for a PhD candidate to perform molecular dynamics simulations of different genetic
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, there is no consensus on the adsorption mechanisms of these molecules on the metallic surfaces. In this PhD project we will use state-of-art molecular simulation methods [2,3] to clarify the adsorption and
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, making a new model which is suitable for a variety of polymer systems. This will involve integrating molecular dynamics simulations, electronic structure calculations, and machine learning techniques
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phosphatases endow Mrc1 and Claspin with the properties of molecular switches to regulate the phosphorylation state of downstream effectors implicated in origin firing, replication checkpoint, and histone
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nanomanufacturing process to overcome the challenges of atomic sale precision, feature size and defects rates for quantum dots. In this project, molecular dynamics simulation study of light matter interaction
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(ToF-PET) provides critical functional and molecular insights to improve cancer staging but is currently limited by detector timing resolution and sensitivity. Metascintillators, an emerging family of
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leaflets. However, most studies to date have focused on symmetric bilayers. This project addresses this gap by integrating molecular dynamics simulations with experimental techniques such as solid-state NMR
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diabetes, pancreatitis, and pancreatic cancer—conditions that are epidemiologically linked, though their molecular interplay remains unclear. Pancreatic cancer, one of the deadliest solid tumors with a five
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how prophages spread and impact host fitness without interference from background MGEs. All this will be modelled and simulated in silico, and model outcomes will be further validated in the laboratory
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, cytosol). This project will use coarse-grained molecular simulations, complemented by in-house experimental validation, to gain molecular insights in the controlled system assembly and disassembly. Our goal