Takaya D - Search Results

1

Bioinformatics based Ligand-Docking and in-silico screening.

Takaya D, Takeda-Shitaka M, Terashi G, Kanou K, Iwadate M, Umeyama H. Takaya D, et al. Chem Pharm Bull (Tokyo). 2008 May;56(5):742-4. doi: 10.1248/cpb.56.742. Chem Pharm Bull (Tokyo). 2008. PMID: 18451572 Free article.

2

Quantum Chemical Interaction Analysis between SARS-CoV-2 Main Protease and Ensitrelvir Compared with Its Initial Screening Hit.

Watanabe C, Tanaka S, Okiyama Y, Yuki H, Ohyama T, Kamisaka K, Takaya D, Fukuzawa K, Honma T. Watanabe C, et al. Among authors: takaya d. J Phys Chem Lett. 2023 Apr 20;14(15):3609-3620. doi: 10.1021/acs.jpclett.2c03768. Epub 2023 Apr 6. J Phys Chem Lett. 2023. PMID: 37023394

3

Protein structure prediction in structure based drug design.

Takeda-Shitaka M, Takaya D, Chiba C, Tanaka H, Umeyama H. Takeda-Shitaka M, et al. Among authors: takaya d. Curr Med Chem. 2004 Mar;11(5):551-8. doi: 10.2174/0929867043455837. Curr Med Chem. 2004. PMID: 15032603 Review.

4

Evaluation of homology modeling of the severe acute respiratory syndrome (SARS) coronavirus main protease for structure based drug design.

Takeda-Shitaka M, Nojima H, Takaya D, Kanou K, Iwadate M, Umeyama H. Takeda-Shitaka M, et al. Among authors: takaya d. Chem Pharm Bull (Tokyo). 2004 May;52(5):643-5. doi: 10.1248/cpb.52.643. Chem Pharm Bull (Tokyo). 2004. PMID: 15133227 Free article.

5

Remarkably different structures and reaction mechanisms of ketoreductases for the opposite stereochemical control in the biosynthesis of BIQ antibiotics.

Taguchi T, Kunieda K, Takeda-Shitaka M, Takaya D, Kawano N, Kimberley MR, Booker-Milburn KI, Stephenson GR, Umeyama H, Ebizuka Y, Ichinose K. Taguchi T, et al. Among authors: takaya d. Bioorg Med Chem. 2004 Nov 15;12(22):5917-27. doi: 10.1016/j.bmc.2004.08.026. Bioorg Med Chem. 2004. PMID: 15498668

6

Searching for protein-protein interaction sites and docking by the methods of molecular dynamics, grid scoring, and the pairwise interaction potential of amino acid residues.

Terashi G, Takeda-Shitaka M, Takaya D, Komatsu K, Umeyama H. Terashi G, et al. Among authors: takaya d. Proteins. 2005 Aug 1;60(2):289-95. doi: 10.1002/prot.20572. Proteins. 2005. PMID: 15981245

7

Protein structure prediction in CASP6 using CHIMERA and FAMS.

Takeda-Shitaka M, Terashi G, Takaya D, Kanou K, Iwadate M, Umeyama H. Takeda-Shitaka M, et al. Among authors: takaya d. Proteins. 2005;61 Suppl 7:122-127. doi: 10.1002/prot.20728. Proteins. 2005. PMID: 16187353

8

FAMS complex: a fully automated homology modeling system for protein complex structures.

Takeda-Shitaka M, Terashi G, Chiba C, Takaya D, Umeyama H. Takeda-Shitaka M, et al. Among authors: takaya d. Med Chem. 2006 Mar;2(2):191-201. doi: 10.2174/157340606776056160. Med Chem. 2006. PMID: 16787367

9

The SKE-DOCK server and human teams based on a combined method of shape complementarity and free energy estimation.

Terashi G, Takeda-Shitaka M, Kanou K, Iwadate M, Takaya D, Umeyama H. Terashi G, et al. Among authors: takaya d. Proteins. 2007 Dec 1;69(4):866-72. doi: 10.1002/prot.21772. Proteins. 2007. PMID: 17853449

10

Fams-ace: a combined method to select the best model after remodeling all server models.

Terashi G, Takeda-Shitaka M, Kanou K, Iwadate M, Takaya D, Hosoi A, Ohta K, Umeyama H. Terashi G, et al. Among authors: takaya d. Proteins. 2007;69 Suppl 8:98-107. doi: 10.1002/prot.21785. Proteins. 2007. PMID: 17894329

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