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of antibiotic resistance. You will build generative protein models to predict plausible future resistance mutations, use these models to guide high-throughput experimental screens of millions of enzyme variants
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will develop atomistic models and machine-learning potentials to interpret experimental data and predict catalytic performance. The tasks can include Advancing equivariant neural network potentials
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includes the following tasks: Develop computer-aided design software for modular construction of switchable RNA nanostructures. Develop databases for RNA modules for automated building of atomistic models
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High-pressure XPS measurements may also be envisioned for most promising catalysts. Similarly, are we collaborating with CatTheory on predicting reaction pathways and microkinetic modelling screening