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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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Research Team ("DESRT") performs cutting-edge research and development on discrete-event simulations and their wide applications, especially, simulations of social phenomena using agent-based models, and
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inference, computational model, neuromorphic artificial intelligence, generative model, neural data analysis Our lab website: Brain Intelligence Theory Unit, Isomura Lab https://unifiedtheory.jp/en
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. Specifically, we identify novel central metabolic pathways in non-model organisms. We then rationalize the differences by considering the habitats, intracellular physicochemical conditions, and metabolic context