Ohta M - Search Results

1

AI-driven molecular generation of not-patented pharmaceutical compounds using world open patent data.

Shimizu Y, Ohta M, Ishida S, Terayama K, Osawa M, Honma T, Ikeda K. Shimizu Y, et al. Among authors: ohta m. J Cheminform. 2023 Dec 13;15(1):120. doi: 10.1186/s13321-023-00791-z. J Cheminform. 2023. PMID: 38093324 Free PMC article.

2

kGCN: a graph-based deep learning framework for chemical structures.

Kojima R, Ishida S, Ohta M, Iwata H, Honma T, Okuno Y. Kojima R, et al. Among authors: ohta m. J Cheminform. 2020 May 12;12(1):32. doi: 10.1186/s13321-020-00435-6. J Cheminform. 2020. PMID: 33430993 Free PMC article.

3

Selective Inhibitor Design for Kinase Homologs Using Multiobjective Monte Carlo Tree Search.

Yoshizawa T, Ishida S, Sato T, Ohta M, Honma T, Terayama K. Yoshizawa T, et al. Among authors: ohta m. J Chem Inf Model. 2022 Nov 28;62(22):5351-5360. doi: 10.1021/acs.jcim.2c00787. Epub 2022 Nov 5. J Chem Inf Model. 2022. PMID: 36334094 Free PMC article.

4

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: ohta m. 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

5

gr Predictor: A Deep Learning Model for Predicting the Hydration Structures around Proteins.

Kawama K, Fukushima Y, Ikeguchi M, Ohta M, Yoshidome T. Kawama K, et al. Among authors: ohta m. J Chem Inf Model. 2022 Sep 26;62(18):4460-4473. doi: 10.1021/acs.jcim.2c00987. Epub 2022 Sep 6. J Chem Inf Model. 2022. PMID: 36068974

6

Conformational Selectivity of ITK Inhibitors: Insights from Molecular Dynamics Simulations.

Ogawa N, Ohta M, Ikeguchi M. Ogawa N, et al. Among authors: ohta m. J Chem Inf Model. 2023 Dec 25;63(24):7860-7872. doi: 10.1021/acs.jcim.3c01352. Epub 2023 Dec 9. J Chem Inf Model. 2023. PMID: 38069816 Free PMC article.

7

Structure-based design and discovery of novel anti-tissue factor antibodies with cooperative double-point mutations, using interaction analysis.

Chiba S, Tanabe A, Nakakido M, Okuno Y, Tsumoto K, Ohta M. Chiba S, et al. Among authors: ohta m. Sci Rep. 2020 Oct 16;10(1):17590. doi: 10.1038/s41598-020-74545-4. Sci Rep. 2020. PMID: 33067496 Free PMC article.

8

Effect of Water Molecules on the Activating S810L Mutation of the Mineralocorticoid Receptor.

Takedomi K, Ohta M, Ekimoto T, Ikeguchi M. Takedomi K, et al. Among authors: ohta m. J Chem Inf Model. 2021 Jul 26;61(7):3583-3592. doi: 10.1021/acs.jcim.1c00389. Epub 2021 Jul 6. J Chem Inf Model. 2021. PMID: 34228431 Free article.

9

Machine learning to estimate the local quality of protein crystal structures.

Miyaguchi I, Sato M, Kashima A, Nakagawa H, Kokabu Y, Ma B, Matsumoto S, Tokuhisa A, Ohta M, Ikeguchi M. Miyaguchi I, et al. Among authors: ohta m. Sci Rep. 2021 Dec 8;11(1):23599. doi: 10.1038/s41598-021-02948-y. Sci Rep. 2021. PMID: 34880321 Free PMC article.

10

Structure-based screening combined with computational and biochemical analyses identified the inhibitor targeting the binding of DNA Ligase 1 to UHRF1.

Kori S, Shibahashi Y, Ekimoto T, Nishiyama A, Yoshimi S, Yamaguchi K, Nagatoishi S, Ohta M, Tsumoto K, Nakanishi M, Defossez PA, Ikeguchi M, Arita K. Kori S, et al. Among authors: ohta m. Bioorg Med Chem. 2021 Dec 15;52:116500. doi: 10.1016/j.bmc.2021.116500. Epub 2021 Nov 10. Bioorg Med Chem. 2021. PMID: 34801826

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