Watanabe C - Search Results

1

Three- and four-body corrected fragment molecular orbital calculations with a novel subdividing fragmentation method applicable to structure-based drug design.

Watanabe C, Fukuzawa K, Okiyama Y, Tsukamoto T, Kato A, Tanaka S, Mochizuki Y, Nakano T. Watanabe C, et al. J Mol Graph Model. 2013 Apr;41:31-42. doi: 10.1016/j.jmgm.2013.01.006. Epub 2013 Feb 8. J Mol Graph Model. 2013. PMID: 23467020

2

An interpretation of positional displacement of the helix12 in nuclear receptors: preexistent swing-up motion triggered by ligand binding.

Watanabe C, Watanabe H, Tanaka S. Watanabe C, et al. Among authors: watanabe h. Biochim Biophys Acta. 2010 Sep;1804(9):1832-40. doi: 10.1016/j.bbapap.2010.06.009. Epub 2010 Jun 16. Biochim Biophys Acta. 2010. PMID: 20601221

3

Charge clamps of lysines and hydrogen bonds play key roles in the mechanism to fix helix 12 in the agonist and antagonist positions of estrogen receptor α: intramolecular interactions studied by the ab initio fragment molecular orbital method.

Watanabe C, Fukuzawa K, Tanaka S, Aida-Hyugaji S. Watanabe C, et al. J Phys Chem B. 2014 May 15;118(19):4993-5008. doi: 10.1021/jp411627y. Epub 2014 May 1. J Phys Chem B. 2014. PMID: 24725156

4

Interaction energy analysis on specific binding of influenza virus hemagglutinin to avian and human sialosaccharide receptors: importance of mutation-induced structural change.

Anzaki S, Watanabe C, Fukuzawa K, Mochizuki Y, Tanaka S. Anzaki S, et al. Among authors: watanabe c. J Mol Graph Model. 2014 Sep;53:48-58. doi: 10.1016/j.jmgm.2014.07.004. Epub 2014 Jul 18. J Mol Graph Model. 2014. PMID: 25068439

5

Hydration of ligands of influenza virus neuraminidase studied by the fragment molecular orbital method.

Tokuda K, Watanabe C, Okiyama Y, Mochizuki Y, Fukuzawa K, Komeiji Y. Tokuda K, et al. Among authors: watanabe c. J Mol Graph Model. 2016 Sep;69:144-53. doi: 10.1016/j.jmgm.2016.08.004. Epub 2016 Aug 31. J Mol Graph Model. 2016. PMID: 27611645

6

Theoretical Analysis of Activity Cliffs among Benzofuranone-Class Pim1 Inhibitors Using the Fragment Molecular Orbital Method with Molecular Mechanics Poisson-Boltzmann Surface Area (FMO+MM-PBSA) Approach.

Watanabe C, Watanabe H, Fukuzawa K, Parker LJ, Okiyama Y, Yuki H, Yokoyama S, Nakano H, Tanaka S, Honma T. Watanabe C, et al. Among authors: watanabe h. J Chem Inf Model. 2017 Dec 26;57(12):2996-3010. doi: 10.1021/acs.jcim.7b00110. Epub 2017 Dec 1. J Chem Inf Model. 2017. PMID: 29111719

7

Fragment Molecular Orbital Calculations with Implicit Solvent Based on the Poisson-Boltzmann Equation: Implementation and DNA Study.

Okiyama Y, Nakano T, Watanabe C, Fukuzawa K, Mochizuki Y, Tanaka S. Okiyama Y, et al. Among authors: watanabe c. J Phys Chem B. 2018 Apr 26;122(16):4457-4471. doi: 10.1021/acs.jpcb.8b01172. Epub 2018 Apr 16. J Phys Chem B. 2018. PMID: 29558137

8

Towards good correlation between fragment molecular orbital interaction energies and experimental IC₅₀ for ligand binding: A case study of p38 MAP kinase.

Sheng Y, Watanabe H, Maruyama K, Watanabe C, Okiyama Y, Honma T, Fukuzawa K, Tanaka S. Sheng Y, et al. Among authors: watanabe c, watanabe h. Comput Struct Biotechnol J. 2018 Oct 13;16:421-434. doi: 10.1016/j.csbj.2018.10.003. eCollection 2018. Comput Struct Biotechnol J. 2018. PMID: 30450166 Free PMC article.

9

Fragment Molecular Orbital Calculations with Implicit Solvent Based on the Poisson-Boltzmann Equation: II. Protein and Its Ligand-Binding System Studies.

Okiyama Y, Watanabe C, Fukuzawa K, Mochizuki Y, Nakano T, Tanaka S. Okiyama Y, et al. Among authors: watanabe c. J Phys Chem B. 2019 Feb 7;123(5):957-973. doi: 10.1021/acs.jpcb.8b09326. Epub 2018 Dec 28. J Phys Chem B. 2019. PMID: 30532968

10

The Translation Inhibitor Rocaglamide Targets a Bimolecular Cavity between eIF4A and Polypurine RNA.

Iwasaki S, Iwasaki W, Takahashi M, Sakamoto A, Watanabe C, Shichino Y, Floor SN, Fujiwara K, Mito M, Dodo K, Sodeoka M, Imataka H, Honma T, Fukuzawa K, Ito T, Ingolia NT. Iwasaki S, et al. Among authors: watanabe c. Mol Cell. 2019 Feb 21;73(4):738-748.e9. doi: 10.1016/j.molcel.2018.11.026. Epub 2018 Dec 27. Mol Cell. 2019. PMID: 30595437 Free PMC article.

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