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Year | Number of Results |
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2006 | 1 |
2020 | 1 |
2021 | 3 |
2023 | 2 |
2024 | 0 |
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Page 1
Deep learning driven de novo drug design based on gastric proton pump structures.
Commun Biol. 2023 Sep 19;6(1):956. doi: 10.1038/s42003-023-05334-8.
Commun Biol. 2023.
PMID: 37726448
Free PMC article.
Identification of aminobenzoic acids as selective inhibitors of the N-terminal phosphatase of soluble epoxide hydrolase.
Kihara Y, Nishimura E, Kanai C, Kitano Y, Suzuki E, Hasumi K.
Kihara Y, et al. Among authors: kanai c.
Biosci Biotechnol Biochem. 2023 Apr 24;87(5):511-515. doi: 10.1093/bbb/zbad016.
Biosci Biotechnol Biochem. 2023.
PMID: 36758967
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Computational Prediction of Compound-Protein Interactions for Orphan Targets Using CGBVS.
Kanai C, Kawasaki E, Murakami R, Morita Y, Yoshimori A.
Kanai C, et al.
Molecules. 2021 Aug 24;26(17):5131. doi: 10.3390/molecules26175131.
Molecules. 2021.
PMID: 34500569
Free PMC article.
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Design and Synthesis of DDR1 Inhibitors with a Desired Pharmacophore Using Deep Generative Models.
Yoshimori A, Asawa Y, Kawasaki E, Tasaka T, Matsuda S, Sekikawa T, Tanabe S, Neya M, Natsugari H, Kanai C.
Yoshimori A, et al. Among authors: kanai c.
ChemMedChem. 2021 Mar 18;16(6):955-958. doi: 10.1002/cmdc.202000786. Epub 2021 Jan 15.
ChemMedChem. 2021.
PMID: 33289306
Free PMC article.
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Strategies for Design of Molecular Structures with a Desired Pharmacophore Using Deep Reinforcement Learning.
Yoshimori A, Kawasaki E, Kanai C, Tasaka T.
Yoshimori A, et al. Among authors: kanai c.
Chem Pharm Bull (Tokyo). 2020;68(3):227-233. doi: 10.1248/cpb.c19-00625.
Chem Pharm Bull (Tokyo). 2020.
PMID: 32115529
Free article.
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Discovery of Novel eEF2K Inhibitors Using HTS Fingerprint Generated from Predicted Profiling of Compound-Protein Interactions.
Yoshimori A, Kawasaki E, Murakami R, Kanai C.
Yoshimori A, et al. Among authors: kanai c.
Medicines (Basel). 2021 May 20;8(5):23. doi: 10.3390/medicines8050023.
Medicines (Basel). 2021.
PMID: 34065377
Free PMC article.
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A virtual active compound produced from the negative image of a ligand-binding pocket, and its application to in-silico drug screening.
Fukunishi Y, Kubota S, Kanai C, Nakamura H.
Fukunishi Y, et al. Among authors: kanai c.
J Comput Aided Mol Des. 2006 Apr;20(4):237-48. doi: 10.1007/s10822-006-9047-1. Epub 2006 Jun 21.
J Comput Aided Mol Des. 2006.
PMID: 16897580
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