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mechanics/molecular mechanics (QM/MM) calculations are used to examine chemical reactions occurred in enzymes. Furthermore, we develop novel simulation algorithms and new models for biomolecules to overcome
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, 2022) and extended this to the triple equivalence between neural dynamics, Bayesian inference, and algorithmic computation (Commun Phys, 2025). -We validated it within in vitro neural networks (Nature
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various processes in modern machine learning, including learning, inference, and generation. In particular, we are working to establish novel theories and algorithms that enhance the efficiency
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application. Keywords：Microbiology, Metabolism, Enzyme, Synthetic Biology, Evolutionary Biology * details of the business RIKEN is Japan's largest and most comprehensive research organization for basic and
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mathematical and computational ideas and methods. Current iTHEMS members' research focus is very diverse, and includes circadian rhythm, evolutionary biology, ecology, genetics, biological engineering