Tsuboi H - Search Results

1

Oxidation mechanism in the metabolism of (S)-N-[1-(3-morpholin-4-ylphenyl)ethyl]-3-phenylacrylamide on oxyferryl active site in CYP3A4 Cytochrome: DFT modeling.

Shaikh AR, Broclawik E, Tsuboi H, Koyama M, Endou A, Takaba H, Kubo M, Del Carpio CA, Miyamoto A. Shaikh AR, et al. Among authors: tsuboi h. J Mol Model. 2007 Jul;13(6-7):851-60. doi: 10.1007/s00894-007-0196-5. Epub 2007 Mar 27. J Mol Model. 2007. PMID: 17387527

2

Quantum chemical studies for oxidation of morpholine by Cytochrome P450.

Shaikh AR, Sahnoun R, Broclawik E, Koyama M, Tsuboi H, Hatakeyama N, Endou A, Takaba H, Kubo M, Del Carpio CA, Miyamoto A. Shaikh AR, et al. Among authors: tsuboi h. J Inorg Biochem. 2009 Jan;103(1):20-7. doi: 10.1016/j.jinorgbio.2008.08.013. Epub 2008 Sep 6. J Inorg Biochem. 2009. PMID: 18848727

3

A graph theoretical approach for assessing bio-macromolecular complex structural stability.

Del Carpio CA, Iulian Florea M, Suzuki A, Tsuboi H, Hatakeyama N, Endou A, Takaba H, Ichiishi E, Miyamoto A. Del Carpio CA, et al. Among authors: tsuboi h. J Mol Model. 2009 Nov;15(11):1349-70. doi: 10.1007/s00894-009-0494-1. Epub 2009 Apr 29. J Mol Model. 2009. PMID: 19408019

4

Molecular dynamics study on the ligand recognition by tandem SH3 domains of p47phox, regulating NADPH oxidase activity.

Watanabe Y, Tsuboi H, Koyama M, Kubo M, Del Carpio CA, Broclawik E, Ichiishi E, Kohno M, Miyamoto A. Watanabe Y, et al. Among authors: tsuboi h. Comput Biol Chem. 2006 Aug;30(4):303-12. doi: 10.1016/j.compbiolchem.2006.04.004. Epub 2006 Jun 22. Comput Biol Chem. 2006. PMID: 16798095

5

Tribochemical reaction dynamics of phosphoric ester lubricant additive by using a hybrid tight-binding quantum chemical molecular dynamics method.

Koyama M, Hayakawa J, Onodera T, Ito K, Tsuboi H, Endou A, Kubo M, Del Carpio CA, Miyamoto A. Koyama M, et al. Among authors: tsuboi h. J Phys Chem B. 2006 Sep 7;110(35):17507-11. doi: 10.1021/jp061210m. J Phys Chem B. 2006. PMID: 16942091

6

First-principles study on proton dissociation properties of fluorocarbon- and hydrocarbon-based membranes in low humidity conditions.

Koyama M, Bada K, Sasaki K, Tsuboi H, Endou A, Kubo M, Del Carpio CA, Broclawik E, Miyamoto A. Koyama M, et al. Among authors: tsuboi h. J Phys Chem B. 2006 Sep 14;110(36):17872-7. doi: 10.1021/jp060281i. J Phys Chem B. 2006. PMID: 16956275

7

Three-dimensional quantitative structure-activity relationship (3 D-QSAR) and docking studies on (benzothiazole-2-yl) acetonitrile derivatives as c-Jun N-terminal kinase-3 (JNK3) inhibitors.

Shaikh AR, Ismael M, Del Carpio CA, Tsuboi H, Koyama M, Endou A, Kubo M, Broclawik E, Miyamoto A. Shaikh AR, et al. Among authors: tsuboi h. Bioorg Med Chem Lett. 2006 Nov 15;16(22):5917-25. doi: 10.1016/j.bmcl.2006.06.039. Epub 2006 Sep 20. Bioorg Med Chem Lett. 2006. PMID: 16989998

8

Combinatorial computational chemistry approach for materials design: applications in deNOx catalysis, Fischer-Tropsch synthesis, lanthanoid complex, and lithium ion secondary battery.

Koyama M, Tsuboi H, Endou A, Takaba H, Kubo M, Del Carpio CA, Miyamoto A. Koyama M, et al. Among authors: tsuboi h. Comb Chem High Throughput Screen. 2007 Feb;10(2):99-110. doi: 10.2174/138620707779940974. Comb Chem High Throughput Screen. 2007. PMID: 17305485 Review.

9

Robotic path planning and protein complex modeling considering low frequency intra-molecular loop and domain motions.

Del Carpio CA, Qiang P, Ichiishi E, Tsuboi H, Koyama M, Hatakeyama N, Endou A, Takaba H, Kubo M, Miyamoto A. Del Carpio CA, et al. Among authors: tsuboi h. Genome Inform. 2006;17(2):270-8. Genome Inform. 2006. PMID: 17503399

10

A computational chemistry study on friction of h-MoS(2). Part I. Mechanism of single sheet lubrication.

Onodera T, Morita Y, Suzuki A, Koyama M, Tsuboi H, Hatakeyama N, Endou A, Takaba H, Kubo M, Dassenoy F, Minfray C, Joly-Pottuz L, Martin JM, Miyamoto A. Onodera T, et al. Among authors: tsuboi h. J Phys Chem B. 2009 Dec 31;113(52):16526-36. doi: 10.1021/jp9069866. J Phys Chem B. 2009. PMID: 19968319

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