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31～38 item / All 38 items
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[Data] Materials Science Reaction Workflow
It can cover often overlooked conformers, streamline workflows, and enhance reproducibility and predictability.
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Case Studies: Machine Learning for Materials Research
Case studies on inorganic solids and polymers! Designing new compounds in a cost-effective and time-efficient manner.
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[Case Study] Machine Learning Enabling Accurate Prediction of Precursor Volatility
Predict the evaporation or sublimation temperature with an accuracy of ±9°C on average, calculating hundreds of complexes per second.
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[Data] Quantum ESPRESSO Interface
By performing it on a single graphical interface, calculations can be done efficiently!
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[Presentation of Materials] Machine Learning and Material Property Prediction
Quickly transform data into knowledge based on informatics! Contributing to the field of advanced materials development.
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High-Efficiency Compound Exploration Realized by FEP+
Widely utilized in the field of chemistry, enabling cost reduction, efficient improvement of molecular profiles, and the exploration of highly accurate new compounds.
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Challenging the structural prediction of unstructured epitopes and long CDR H3 loops.
Application of replica exchange MD to the structural prediction of antigen-antibody complexes with long CDR H3 loops and disordered epitopes exceeding several dozen residues.
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[Data] Integrated simulation software for bio and antibody drug discovery.
Integrated software for diverse biologics and antibody drug discovery, including monoclonal antibodies, vaccine antigens, enzymes, and peptides.
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