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19F chemical library and 19F-NMR for a weakly bound complex structure.
Shinya S, Katahira R, Furuita K, Sugiki T, Lee YH, Hattori Y, Takeshita K, Nakagawa A, Kokago A, Akagi KI, Oouchi M, Hayashi F, Kigawa T, Takimoto-Kamimura M, Fujiwara T, Kojima C. Shinya S, et al. Among authors: takimoto kamimura m. RSC Med Chem. 2022 Jul 22;13(9):1100-1111. doi: 10.1039/d2md00170e. eCollection 2022 Sep 21. RSC Med Chem. 2022. PMID: 36324497 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: takimoto kamimura m. 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 change of retinoic-acid receptor-related orphan receptor induced by binding of inverse-agonist: Molecular dynamics and ab initio molecular orbital simulations.
Suzuki S, Nakamura T, Saito R, Terauchi Y, Kawai K, Takimoto-Kamimura M, Kurita N. Suzuki S, et al. Among authors: takimoto kamimura m. Comput Struct Biotechnol J. 2020 Jun 25;18:1676-1685. doi: 10.1016/j.csbj.2020.06.034. eCollection 2020. Comput Struct Biotechnol J. 2020. PMID: 32670507 Free PMC article.
37 results