Prediction of ALK mutations mediating ALK-TKIs resistance and drug re-purposing to overcome the resistance K Okada, M Araki, T Sakashita, B Ma, R Kanada, N Yanagitani, A Horiike, ... EBioMedicine 41, 105-119, 2019 | 119 | 2019 |
Gilteritinib overcomes lorlatinib resistance in ALK-rearranged cancer H Mizuta, K Okada, M Araki, J Adachi, A Takemoto, J Kutkowska, ... Nature communications 12 (1), 1261, 2021 | 72 | 2021 |
Molecular dynamics simulation-guided drug sensitivity prediction for lung cancer with rare EGFR mutations S Ikemura, H Yasuda, S Matsumoto, M Kamada, J Hamamoto, ... Proceedings of the National Academy of Sciences 116 (20), 10025-10030, 2019 | 54 | 2019 |
Fibronectin type III domain-containing protein 5 interacts with APP and decreases amyloid β production in Alzheimer’s disease Y Noda, A Kuzuya, K Tanigawa, M Araki, R Kawai, B Ma, Y Sasakura, ... Molecular brain 11, 1-13, 2018 | 49 | 2018 |
Structure-Based de Novo Molecular Generator Combined with Artificial Intelligence and Docking Simulations B Ma, K Terayama, S Matsumoto, Y Isaka, Y Sasakura, H Iwata, M Araki, ... Journal of Chemical Information and Modeling 61 (7), 3304-3313, 2021 | 48 | 2021 |
Protein–ligand binding affinity prediction of cyclin‐dependent kinase‐2 inhibitors by dynamically averaged fragment molecular orbital‐based interaction energy K Takaba, C Watanabe, A Tokuhisa, Y Akinaga, B Ma, R Kanada, M Araki, ... Journal of computational chemistry 43 (20), 1362-1371, 2022 | 24 | 2022 |
Logical design of anti-prion agents using NAGARA B Ma, K Yamaguchi, M Fukuoka, K Kuwata Biochemical and biophysical research communications 469 (4), 930-935, 2016 | 19 | 2016 |
Microsecond-timescale MD simulation of EGFR minor mutation predicts the structural flexibility of EGFR kinase core that reflects EGFR inhibitor sensitivity T Yoshizawa, K Uchibori, M Araki, S Matsumoto, B Ma, R Kanada, Y Seto, ... NPJ Precision Oncology 5 (1), 32, 2021 | 12 | 2021 |
Improvement in predicting drug sensitivity changes associated with protein mutations using a molecular dynamics based alchemical mutation method F Ono, S Chiba, Y Isaka, S Matsumoto, B Ma, R Katayama, M Araki, ... Scientific reports 10 (1), 2161, 2020 | 10 | 2020 |
Structural modification of indomethacin toward selective inhibition of COX-2 with a significant increase in van der Waals contributions A Ikeda, E Funakoshi, M Araki, B Ma, Y Karuo, A Tarui, K Sato, Y Okuno, ... Bioorganic & Medicinal Chemistry 27 (9), 1789-1794, 2019 | 10 | 2019 |
Improving the Accuracy of Protein‐Ligand Binding Mode Prediction Using a Molecular Dynamics‐Based Pocket Generation Approach M Araki, H Iwata, B Ma, A Fujita, K Terayama, Y Sagae, F Ono, K Tsuda, ... Journal of computational chemistry 39 (32), 2679-2689, 2018 | 10 | 2018 |
Machine learning to estimate the local quality of protein crystal structures I Miyaguchi, M Sato, A Kashima, H Nakagawa, Y Kokabu, B Ma, ... Scientific Reports 11 (1), 23599, 2021 | 8 | 2021 |
Novel Atg4B inhibitors potentiate cisplatin therapy in lung cancer cells through blockade of autophagy S Endo, M Uchibori, M Suyama, M Fujita, Y Arai, D Hu, S Xia, B Ma, ... Computational Toxicology 12, 100095, 2019 | 7* | 2019 |
Coarse-Grained Diffraction Template Matching Model to Retrieve Multiconformational Models for Biomolecule Structures from Noisy Diffraction Patterns A Tokuhisa, R Kanada, S Chiba, K Terayama, Y Isaka, B Ma, N Kamiya, ... Journal of Chemical Information and Modeling 60 (6), 2803-2818, 2020 | 4 | 2020 |
Establishment of an MR1 Presentation Reporter Screening System and Identification of Phenylpropanoid Derivatives as MR1 Ligands T Matsuoka, A Hattori, S Oishi, M Araki, B Ma, T Fujii, N Arichi, Y Okuno, ... Journal of Medicinal Chemistry 66 (17), 12520-12535, 2023 | 2 | 2023 |
Decoding the specificity of m6A RNA methylation and its implication in cancer therapy Y Cun, W Guo, B Ma, Y Okuno, J Wang Molecular Therapy, 2024 | 1 | 2024 |
LTK mutations responsible for resistance to lorlatinib in non-small cell lung cancer harboring CLIP1-LTK fusion S Mori, H Izumi, M Araki, J Liu, Y Tanaka, Y Kagawa, Y Sagae, B Ma, ... Communications Biology 7 (1), 412, 2024 | | 2024 |
QAEmap: A Novel Local Quality Assessment Method for Protein Crystal Structures Using Machine Learning I Miyaguchi, M Sato, A Kashima, H Nakagawa, Y Kokabu, B Ma, ... | | 2021 |