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Page 1
Protein-ligand binding affinity prediction of cyclin-dependent kinase-2 inhibitors by dynamically averaged fragment molecular orbital-based interaction energy.
Takaba K, Watanabe C, Tokuhisa A, Akinaga Y, Ma B, Kanada R, Araki M, Okuno Y, Kawashima Y, Moriwaki H, Kawashita N, Honma T, Fukuzawa K, Tanaka S. Takaba K, et al. Among authors: kanada r. J Comput Chem. 2022 Jul 30;43(20):1362-1371. doi: 10.1002/jcc.26940. Epub 2022 Jun 9. J Comput Chem. 2022. PMID: 35678372
High-Precision Atomic Charge Prediction for Protein Systems Using Fragment Molecular Orbital Calculation and Machine Learning.
Kato K, Masuda T, Watanabe C, Miyagawa N, Mizouchi H, Nagase S, Kamisaka K, Oshima K, Ono S, Ueda H, Tokuhisa A, Kanada R, Ohta M, Ikeguchi M, Okuno Y, Fukuzawa K, Honma T. Kato K, et al. Among authors: kanada r. J Chem Inf Model. 2020 Jul 27;60(7):3361-3368. doi: 10.1021/acs.jcim.0c00273. Epub 2020 Jun 30. J Chem Inf Model. 2020. PMID: 32496771
Energetics of the single-headed kinesin KIF1A.
Kanada R, Sasaki K. Kanada R, et al. Phys Rev E Stat Nonlin Soft Matter Phys. 2013 Aug;88(2):022711. doi: 10.1103/PhysRevE.88.022711. Epub 2013 Aug 14. Phys Rev E Stat Nonlin Soft Matter Phys. 2013. PMID: 24032868 Free article.
Molecular dynamics simulation-guided drug sensitivity prediction for lung cancer with rare EGFR mutations.
Ikemura S, Yasuda H, Matsumoto S, Kamada M, Hamamoto J, Masuzawa K, Kobayashi K, Manabe T, Arai D, Nakachi I, Kawada I, Ishioka K, Nakamura M, Namkoong H, Naoki K, Ono F, Araki M, Kanada R, Ma B, Hayashi Y, Mimaki S, Yoh K, Kobayashi SS, Kohno T, Okuno Y, Goto K, Tsuchihara K, Soejima K. Ikemura S, et al. Among authors: kanada r. Proc Natl Acad Sci U S A. 2019 May 14;116(20):10025-10030. doi: 10.1073/pnas.1819430116. Epub 2019 May 1. Proc Natl Acad Sci U S A. 2019. PMID: 31043566 Free PMC article.
20 results