Shigeta Y - Search Results

1

Site Identification and Next Choice Protocol for Hit-to-Lead Optimization.

Kudo G, Hirao T, Yoshino R, Shigeta Y, Hirokawa T. Kudo G, et al. Among authors: shigeta y. J Chem Inf Model. 2024 May 20. doi: 10.1021/acs.jcim.3c02036. Online ahead of print. J Chem Inf Model. 2024. PMID: 38768949

2

Preferential Door for Ligand Binding and Unbinding Pathways in Inhibited Human Acetylcholinesterase.

Kongkaew N, Hengphasatporn K, Shigeta Y, Rungrotmongkol T, Harada R. Kongkaew N, et al. Among authors: shigeta y. J Phys Chem Lett. 2024 May 20:5696-5704. doi: 10.1021/acs.jpclett.4c00514. Online ahead of print. J Phys Chem Lett. 2024. PMID: 38768263

3

Cocrystalline Matrices for Hyperpolarization at Room Temperature Using Photoexcited Electrons.

Inukai M, Sato H, Miyanishi K, Negoro M, Kagawa A, Hori Y, Shigeta Y, Kurihara T, Nakamura K. Inukai M, et al. Among authors: shigeta y. J Am Chem Soc. 2024 May 16. doi: 10.1021/jacs.4c01050. Online ahead of print. J Am Chem Soc. 2024. PMID: 38754971

4

[Development of Membrane Permeability Coefficient by Means of Novel Molecular Dynamics Methods].

Harada R, Mitsuta Y, Shigeta Y. Harada R, et al. Among authors: shigeta y. Yakugaku Zasshi. 2024;144(5):545-551. doi: 10.1248/yakushi.23-00191-3. Yakugaku Zasshi. 2024. PMID: 38692931 Free article. Review. Japanese.

5

[Development of Integrated Database for Experiments and Simulations].

Yamada I, Kimura N, Nomura T, Otsuguro S, Miyachi H, Shigeta Y, Maenaka K. Yamada I, et al. Among authors: shigeta y. Yakugaku Zasshi. 2024;144(5):539-543. doi: 10.1248/yakushi.23-00191-2. Yakugaku Zasshi. 2024. PMID: 38692930 Free article. Review. Japanese.

6

Development of an Fe^II Complex Exhibiting Intermolecular Proton Shifting Coupled Spin Transition.

Ji T, Su S, Wu S, Hori Y, Shigeta Y, Huang Y, Zheng W, Xu W, Zhang X, Kiyanagi R, Munakata K, Ohhara T, Nakanishi T, Sato O. Ji T, et al. Among authors: shigeta y. Angew Chem Int Ed Engl. 2024 Apr 15:e202404843. doi: 10.1002/anie.202404843. Online ahead of print. Angew Chem Int Ed Engl. 2024. PMID: 38622084

7

Grinding-Induced Water Solubility Exhibited by Mechanochromic Luminescent Supramolecular Fibers.

Liu Q, Zhang T, Ikemoto Y, Shinozaki Y, Watanabe G, Hori Y, Shigeta Y, Midorikawa T, Harano K, Sagara Y. Liu Q, et al. Among authors: shigeta y. Small. 2024 Mar 10:e2400063. doi: 10.1002/smll.202400063. Online ahead of print. Small. 2024. PMID: 38461517

8

FMO-guided design of darunavir analogs as HIV-1 protease inhibitors.

Chuntakaruk H, Hengphasatporn K, Shigeta Y, Aonbangkhen C, Lee VS, Khotavivattana T, Rungrotmongkol T, Hannongbua S. Chuntakaruk H, et al. Among authors: shigeta y. Sci Rep. 2024 Feb 13;14(1):3639. doi: 10.1038/s41598-024-53940-1. Sci Rep. 2024. PMID: 38351065 Free PMC article.

9

Manipulation of photosynthetic energy transfer by vibrational strong coupling.

Dong JY, Kitahama Y, Fujita T, Adachi M, Shigeta Y, Ishizaki A, Tanaka S, Xiao TH, Goda K. Dong JY, et al. Among authors: shigeta y. J Chem Phys. 2024 Jan 28;160(4):045101. doi: 10.1063/5.0183383. J Chem Phys. 2024. PMID: 38284659

10

Machine learning-guided design of potent darunavir analogs targeting HIV-1 proteases: A computational approach for antiretroviral drug discovery.

Chuntakaruk H, Boonpalit K, Kinchagawat J, Nakarin F, Khotavivattana T, Aonbangkhen C, Shigeta Y, Hengphasatporn K, Nutanong S, Rungrotmongkol T, Hannongbua S. Chuntakaruk H, et al. Among authors: shigeta y. J Comput Chem. 2024 May 15;45(13):953-968. doi: 10.1002/jcc.27298. Epub 2024 Jan 4. J Comput Chem. 2024. PMID: 38174739

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