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, engineering, bioinformatics, machine learning, artificial intelligence) to support minimally invasive and targeted preventive and predictive medicine capable of limiting age-related functional disorders
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by exploiting foundational machine-learning potentials such as MACE, SevenNet, or Orb-V3. The predictions will then be progressively refined and verified by DFT and, ultimately, tested experimentally
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-of-the-art in silico protein structure prediction methods and in vitro screening approaches will be used to systematically elucidate the amyloidogenic potential of the gut metaproteome. Specifically, gene
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be done via computer simulations, including Monte Carlo and molecular dynamics, combined with the use of statistical mechanics to predict e.g. phase transitions, nucleation rates, etc. The work will be
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Description of the offer : Spin triangles are magnetic molecules predicted to display spin chirality, magnetoelectricity and protected quantum degrees of freedom. These characteristics could allow