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Structural Basis of Activin Receptor-Like Kinase 2 (R206H) Inhibition by Bis-heteroaryl Pyrazole-Based Inhibitors for the Treatment of Fibrodysplasia Ossificans Progressiva Identified by the Integration of Ligand-Based and Structure-Based Drug Design Approaches.
Sato T, Sekimata K, Sakai N, Watanabe H, Mishima-Tsumagari C, Taguri T, Matsumoto T, Fujii Y, Handa N, Tanaka A, Shirouzu M, Yokoyama S, Hashizume Y, Miyazono K, Koyama H, Honma T. Sato T, et al. ACS Omega. 2020 May 12;5(20):11411-11423. doi: 10.1021/acsomega.9b04245. eCollection 2020 May 26. ACS Omega. 2020. PMID: 32478230 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: sato t. 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
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