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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: moriwaki h. 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
Mordred: a molecular descriptor calculator.
Moriwaki H, Tian YS, Kawashita N, Takagi T. Moriwaki H, et al. J Cheminform. 2018 Feb 6;10(1):4. doi: 10.1186/s13321-018-0258-y. J Cheminform. 2018. PMID: 29411163 Free PMC article.
FMODB: The World's First Database of Quantum Mechanical Calculations for Biomacromolecules Based on the Fragment Molecular Orbital Method.
Takaya D, Watanabe C, Nagase S, Kamisaka K, Okiyama Y, Moriwaki H, Yuki H, Sato T, Kurita N, Yagi Y, Takagi T, Kawashita N, Takaba K, Ozawa T, Takimoto-Kamimura M, Tanaka S, Fukuzawa K, Honma T. Takaya D, et al. Among authors: moriwaki h. J Chem Inf Model. 2021 Feb 22;61(2):777-794. doi: 10.1021/acs.jcim.0c01062. Epub 2021 Jan 29. J Chem Inf Model. 2021. PMID: 33511845
Structural basis of transcription regulation by CNC family transcription factor, Nrf2.
Sengoku T, Shiina M, Suzuki K, Hamada K, Sato K, Uchiyama A, Kobayashi S, Oguni A, Itaya H, Kasahara K, Moriwaki H, Watanabe C, Honma T, Okada C, Baba S, Ohta T, Motohashi H, Yamamoto M, Ogata K. Sengoku T, et al. Among authors: moriwaki h. Nucleic Acids Res. 2022 Nov 28;50(21):12543-12557. doi: 10.1093/nar/gkac1102. Nucleic Acids Res. 2022. PMID: 36454022 Free PMC article.
Serum MYCN as a predictive biomarker of prognosis and therapeutic response in the prevention of hepatocellular carcinoma recurrence.
Qin XY, Shirakami Y, Honda M, Yeh SH, Numata K, Lai YY, Li CL, Wei F, Xu Y, Imai K, Takai K, Chuma M, Komatsu N, Furutani Y, Gailhouste L, Aikata H, Chayama K, Enomoto M, Tateishi R, Kawaguchi K, Yamashita T, Kaneko S, Nagaoka K, Tanaka M, Sasaki Y, Tanaka Y, Baba H, Miura K, Ochi S, Masaki T, Kojima S, Matsuura T, Shimizu M, Chen PJ, Moriwaki H, Suzuki H. Qin XY, et al. Among authors: moriwaki h. Int J Cancer. 2024 Feb 21. doi: 10.1002/ijc.34893. Online ahead of print. Int J Cancer. 2024. PMID: 38380807
885 results