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. In the project you should: Design and implement enzyme libraries using generative AI tools such as RFdiffusion2 or BoltzDesign. Perform molecular dynamics simulations to assess enzyme-substrate
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our team at DTU Compute, offering a fully funded position within a dynamic and interdisciplinary research environment. The positions are part of the research project “AI-driven materials optimization
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molecular dynamics simulations and in silico screening to assess inhibitor-target interactions and predict selectivity. Clone, express, and purify top candidates using high-throughput bacterial systems and
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and MSc students. In the project you should: Design and implement enzyme libraries using generative AI tools such as RFdiffusion2 or BoltzDesign. Perform molecular dynamics simulations to assess enzyme
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tools such as RFdiffusion2 or BoltzDesign. Perform molecular dynamics simulations and in silico screening to assess inhibitor-target interactions and predict selectivity. Clone, express, and purify top
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and reduction of very large data sets, data analysis, and simulations of X-ray scattering and spectroscopy signatures of dynamic processes in battery materials. The theoretical/ simulation efforts