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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
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.
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
Prediction of ALK mutations mediating ALK-TKIs resistance and drug re-purposing to overcome the resistance.
Okada K, Araki M, Sakashita T, Ma B, Kanada R, Yanagitani N, Horiike A, Koike S, Oh-Hara T, Watanabe K, Tamai K, Maemondo M, Nishio M, Ishikawa T, Okuno Y, Fujita N, Katayama R. Okada K, et al. Among authors: kanada r. EBioMedicine. 2019 Mar;41:105-119. doi: 10.1016/j.ebiom.2019.01.019. Epub 2019 Jan 17. EBioMedicine. 2019. PMID: 30662002 Free PMC article.
19 results