Takaba H - Search Results

1

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: takaba h. J Phys Chem B. 2009 Dec 31;113(52):16526-36. doi: 10.1021/jp9069866. J Phys Chem B. 2009. PMID: 19968319

2

Estimation of Adsorbed Amounts in Organoclay by Machine Learning.

Shobuke H, Matsumoto T, Hirosawa F, Miyagawa M, Takaba H. Shobuke H, et al. Among authors: takaba h. ACS Omega. 2022 Dec 27;8(1):1146-1153. doi: 10.1021/acsomega.2c06602. eCollection 2023 Jan 10. ACS Omega. 2022. PMID: 36643430 Free PMC article.

3

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: takaba 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.

4

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: takaba 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

5

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: takaba h. Genome Inform. 2006;17(2):270-8. Genome Inform. 2006. PMID: 17503399

6

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: takaba 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

7

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: takaba 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

8

Quantum chemistry study on absorption spectra, electronic and electrical properties of organic dye on anatase(001).

Lv C, Ogiyal K, Suzuki A, Sahnoun R, Koyama M, Tsuboi H, Hatakeyama N, Endou A, Takaba H, Del Carpio CA, Deka RC, Kubo M, Miyamoto A. Lv C, et al. Among authors: takaba h. J Nanosci Nanotechnol. 2010 Apr;10(4):2434-43. doi: 10.1166/jnn.2010.1398. J Nanosci Nanotechnol. 2010. PMID: 20355445

9

Tribochemical reaction dynamics of molybdenum dithiocarbamate on nascent iron surface: a hybrid quantum chemical/classical molecular dynamics study.

Onodera T, Morita Y, Suzuki A, Sahnoun R, Koyama M, Tsuboi H, Hatakeyama N, Endou A, Takaba H, Del Carpio CA, Deka RC, Kubo M, Miyamoto A. Onodera T, et al. Among authors: takaba h. J Nanosci Nanotechnol. 2010 Apr;10(4):2495-502. doi: 10.1166/jnn.2010.1399. J Nanosci Nanotechnol. 2010. PMID: 20355453

10

The effect of R249S carcinogenic and H168R-R249S suppressor mutations on p53-DNA interaction, a multi scale computational study.

Rauf SM, Ismael M, Sahu KK, Suzuki A, Koyama M, Tsuboi H, Hatakeyama N, Endou A, Takaba H, Del Carpio CA, Kubo M, Miyamoto A. Rauf SM, et al. Among authors: takaba h. Comput Biol Med. 2010 May;40(5):498-508. doi: 10.1016/j.compbiomed.2010.03.004. Epub 2010 Apr 18. Comput Biol Med. 2010. PMID: 20403587

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