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1

Expression and molecular dynamics studies on effect of amino acid substitutions at Arg344 in human cathepsin A on the protein local conformation

Tatsusada Yoshida, Yoshito Kadota, Seiji Hitaoka, Eri Kori, Yasushi Horikawa, Masahiro Taguchi, Daisuke Tsuji, Takatsugu Hirokawa, Hiroshi Chuman, Kohji Itoh

Journal:

Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics

Year:

2009

Language:

english

File:

PDF, 605 KB

english, 2009

2

Density Functional Theory Study of Hydrogen Atom Abstraction from a Series of para-Substituted Phenols: Why is the Hammett σp+ Constant Able to Represent Radical Reaction Rates?

Yoshida, Tatsusada, Hirozumi, Koji, Harada, Masataka, Hitaoka, Seiji, Chuman, Hiroshi

Journal:

Journal of Organic Chemistry

Year:

2011

Language:

english

File:

PDF, 1.39 MB

english, 2011

3

Reassessment of Hammett σ as an effective parameter representing intermolecular interaction energy—links between traditional and modern QSAR approaches

Tatsusada Yoshida, Miho Shimizu, Masataka Harada, Seiji Hitaoka, Hiroshi Chuman

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2012

Language:

english

File:

PDF, 249 KB

english, 2012

4

Correlation Analyses on Binding Affinity of Substituted Benzenesulfonamides with Carbonic Anhydrase Using ab Initio MO Calculations on Their Complex Structures

Yoshida, Tatsusada, Munei, Yohei, Hitaoka, Seiji, Chuman, Hiroshi

Journal:

Journal of Chemical Information and Modeling

Year:

2010

Language:

english

File:

PDF, 598 KB

english, 2010

5

Correlation Analyses on Binding Affinity of Sialic Acid Analogues with Influenza Virus Neuraminidase-1 Using ab Initio MO Calculations on Their Complex Structures

Hitaoka, Seiji, Harada, Masataka, Yoshida, Tatsusada, Chuman, Hiroshi

Journal:

Journal of Chemical Information and Modeling

Year:

2010

Language:

english

File:

PDF, 1.61 MB

english, 2010

6

Correlation Analyses on Binding Affinity of Sialic Acid Analogues and Anti-Influenza Drugs with Human Neuraminidase Using ab Initio MO Calculations on Their Complex Structures – LERE-QSAR Analysis (IV)

Hitaoka, Seiji, Matoba, Hiroshi, Harada, Masataka, Yoshida, Tatsusada, Tsuji, Daisuke, Hirokawa, Takatsugu, Itoh, Kohji, Chuman, Hiroshi

Journal:

Journal of Chemical Information and Modeling

Year:

2011

Language:

english

File:

PDF, 2.29 MB

english, 2011

7

Combined QM/MM (ONIOM) and QSAR Approach to the Study of Complex Formation of Matrix Metalloproteinase-9 with a Series of Biphenylsulfonamides–LERE-QSAR Analysis (V)

Yoshida, Tatsusada, Hitaoka, Seiji, Mashima, Akira, Sugimoto, Takuya, Matoba, Hiroshi, Chuman, Hiroshi

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 1.09 MB

english, 2012

8

A QSAR study on the inhibition mechanism of matrix metalloproteinase-12 by arylsulfone analogs based on molecular orbital calculations

Hitaoka, Seiji, Chuman, Hiroshi, Yoshizawa, Kazunari

Journal:

Organic & Biomolecular Chemistry

Year:

2015

Language:

english

File:

PDF, 2.23 MB

english, 2015

9

Energetic Mechanism of Cytochrome c - Cytochrome c Oxidase Electron Transfer Complex Formation under Turnover Conditions Revealed by Mutational Effects and Docking Simulation

Sato, Wataru, Hitaoka, Seiji, Inoue, Kaoru, Imai, Mizue, Saio, Tomohide, Uchida, Takeshi, Shinzawa-Itoh, Kyoko, Yoshikawa, Shinya, Yoshizawa, Kazunari, Ishimori, Koichiro

Journal:

Journal of Biological Chemistry

Year:

2016

Language:

english

File:

PDF, 1.78 MB

english, 2016

10

Novel pH-dependent regulation of human cytosolic sialidase 2 (NEU2) activities by siastatin B and structural prediction of NEU2/siastatin B complex

Rahman, M. Motiur, Hirokawa, Takatsugu, Tsuji, Daisuke, Tsukimoto, Jun, Hitaoka, Seiji, Yoshida, Tatsusada, Chuman, Hiroshi, Itoh, Kohji

Journal:

Biochemistry and Biophysics Reports

Year:

2015

Language:

english

File:

PDF, 4.90 MB

english, 2015

11

Synergy of Electrostatic and van der Waals Interactions in the Adhesion of Epoxy Resin with Carbon-Fiber and Glass Surfaces

Yoshizawa, Kazunari, Semoto, Takayuki, Hitaoka, Seiji, Higuchi, Chisa, Shiota, Yoshihito, Tanaka, Hiromasa

Journal:

Bulletin of the Chemical Society of Japan

Year:

2017

Language:

english

File:

PDF, 1.89 MB

english, 2017

12

Revisiting the Hansch–Fujita approach and development of a fundamental QSAR

Hitaoka, Seiji, Chuman, Hiroshi

Journal:

Journal of Pesticide Science

Year:

2013

Language:

english

File:

PDF, 1.78 MB

english, 2013

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