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Mitsugu Araki

Kyoto University

44

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331

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Accurate Binding Configuration Prediction of a G-Protein-Coupled Receptor to Its Antagonist Using Multicanonical Molecular Dynamics-Based Dynamic Docking.

2021 Journal of Chemical Information and Modeling
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Structure-Based De Novo Molecular Generator Combined with Artificial Intelligence and Docking Simulations

2021 ChemRxiv
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Extraction of protein dynamics information from cryo-EM maps using deep learning

2021 Nature Machine Intelligence
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Oncogenic mutations Q61L and Q61H confer active form-like structural features to the inactive state (state 1) conformation of H-Ras protein.

2021 Biochemical and Biophysical Research Communications
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Microsecond-timescale MD simulation of EGFR minor mutation predicts the structural flexibility of EGFR kinase core that reflects EGFR inhibitor sensitivity.

2021
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Gilteritinib overcomes lorlatinib resistance in ALK-rearranged cancer.

2021 Nature Communications
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DEFMap: Dynamics Extraction From cryo-em Map

2020
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Extraction of Protein Dynamics Information Hidden in Cryogenic Electron Microscopy Maps Using Deep Learning

2020 bioRxiv
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Landscape and function of multiple mutations within individual oncogenes

2020 Nature
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Novel Insights into the Structural Perturbation Induced by the Oncogenic Mutations, Q61L and Q61H, in Ras State 1

2020 Biophysical Journal
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