Seiji Hitaoka

发表

Modeling of Human Neuraminidase-1 and Its Validation by LERE-Correlation Analysis

T. Hirokawa, H. Chuman, D. Tsuji, 2013 .

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).

H. Chuman, T. Sugimoto, Tatsusada Yoshida, 2012, The journal of physical chemistry. B.

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

H. Chuman, Tatsusada Yoshida, M. Harada, 2012, Bioorganic & medicinal chemistry letters.

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

T. Hirokawa, H. Chuman, D. Tsuji, 2015, Biochemistry and biophysics reports.

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

S. Yoshikawa, K. Shinzawa-Itoh, T. Saio, 2016, The Journal of Biological Chemistry.

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

T. Hirokawa, H. Chuman, D. Tsuji, 2009, Biochimica et biophysica acta.

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

K. Yoshizawa, Hiromasa Tanaka, Y. Shiota, 2017 .

Density functional theory study of hydrogen atom abstraction from a series of para-substituted phenols: why is the Hammett σ(p)+ constant able to represent radical reaction rates?

H. Chuman, Tatsusada Yoshida, M. Harada, 2011, The Journal of organic chemistry.

Osmotic pressure effects identify dehydration upon cytochrome c - cytochrome c oxidase complex formation contributing to a specific electron pathway formation.

S. Yoshikawa, K. Shinzawa-Itoh, T. Uchida, 2020, The Biochemical journal.

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)

Kohji Itoh, Takatsugu Hirokawa, Hiroshi Chuman, 2011, J. Chem. Inf. Model..

Mechanism of Electron Transfer from Cytochrome c to Cytochrome c Oxidase Regulated by Hydrophobic Interaction

S. Yoshikawa, K. Shinzawa-Itoh, T. Saio, 2018 .

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

Hiroshi Chuman, Seiji Hitaoka, Masataka Harada, 2010, J. Chem. Inf. Model..

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

Hiroshi Chuman, Seiji Hitaoka, Tatsusada Yoshida, 2010, J. Chem. Inf. Model..

Mechanistic Study on Catalytic Disproportionation of Hydrazine by a Protic Pincer-Type Iron Complex through Proton-Coupled Electron Transfer

K. Yoshizawa, Hiromasa Tanaka, S. Kuwata, 2020 .

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

Kazunari Yoshizawa, Hiroshi Chuman, Seiji Hitaoka, 2015, Organic & biomolecular chemistry.

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

H. Chuman, Seiji Hitaoka, 2013 .

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).

H. Chuman, T. Sugimoto, Tatsusada Yoshida, 2012, The journal of physical chemistry. B.

Density functional theory study of hydrogen atom abstraction from a series of para-substituted phenols: why is the Hammett σ(p)+ constant able to represent radical reaction rates?

H. Chuman, Tatsusada Yoshida, M. Harada, 2011, The Journal of organic chemistry.

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

S. Yoshikawa, K. Shinzawa-Itoh, T. Saio, 2016, The Journal of Biological Chemistry.