2SP6-07 Possibility of Mutation Prediction of Influenza Hemagglutinin by Combination of Hemadsorption Experiment and Quantum Chemical Calculation for Antibody Binding(2SP6 Towards Supercomputing for Electronic Structures of Biological Macromolecules,The 47th Annual Meeting of the Biophysical Society of Japan)

Kazutomo Takematsu; Kaori Fukuzawa; Katsumi Omagari; Katsuhisa Nakajima; Setsuko Nakajima; Yuji Mochizuki; Tatsuya Nakano; Hirofumi Watanabe; Shigenori Tanaka

doi:10.2142/biophys.49.s15_5

2SP6-07 Possibility of Mutation Prediction of Influenza Hemagglutinin by Combination of Hemadsorption Experiment and Quantum Chemical Calculation for Antibody Binding(2SP6 Towards Supercomputing for Electronic Structures of Biological Macromolecules,The 47th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.49.s15_5 ◽

2009 ◽

Vol 49 (supplement) ◽

pp. S15

Author(s):

Kazutomo Takematsu ◽

Kaori Fukuzawa ◽

Katsumi Omagari ◽

Katsuhisa Nakajima ◽

Setsuko Nakajima ◽

...

Keyword(s):

Annual Meeting ◽

Quantum Chemical Calculation ◽

Electronic Structures ◽

Quantum Chemical ◽

Antibody Binding ◽

Biological Macromolecules ◽

Chemical Calculation ◽

Influenza Hemagglutinin ◽

Biophysical Society ◽

Mutation Prediction

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3P-063 Possibility of Mutation Prediction of Influenza Hemagglutinin by Combination of Hemadsorption Experiment and Quantum Chemical Calculation for Antibody Binding(Protein:Function,2SP6 Towards Supercomputiong for Electronic Structures of Biological Macromolecules,Symposia,The 47th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.49.s161_5 ◽

2009 ◽

Vol 49 (supplement) ◽

pp. S161

Author(s):

Kazutomo Takematsu ◽

Kaori Fukuzawa ◽

Katsumi Omagari ◽

Katsuhisa Nakajima ◽

Setsuko Nakajima ◽

...

Keyword(s):

Annual Meeting ◽

Quantum Chemical Calculation ◽

Electronic Structures ◽

Quantum Chemical ◽

Antibody Binding ◽

Biological Macromolecules ◽

Chemical Calculation ◽

Influenza Hemagglutinin ◽

Biophysical Society ◽

Mutation Prediction

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Possibility of Mutation Prediction of Influenza Hemagglutinin by Combination of Hemadsorption Experiment and Quantum Chemical Calculation for Antibody Binding

The Journal of Physical Chemistry B ◽

10.1021/jp810997c ◽

2009 ◽

Vol 113 (15) ◽

pp. 4991-4994 ◽

Cited By ~ 39

Author(s):

Kazutomo Takematsu ◽

Kaori Fukuzawa ◽

Katsumi Omagari ◽

Setsuko Nakajima ◽

Katsuhisa Nakajima ◽

...

Keyword(s):

Quantum Chemical Calculation ◽

Quantum Chemical ◽

Antibody Binding ◽

Chemical Calculation ◽

Influenza Hemagglutinin ◽

Mutation Prediction

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2SP6-05 The role of H-doping in the electronic structure, spin localization and electron transfer of iron-sulfur [2Fe-2S] proteins(2SP6 Towards Supercomputing for Electronic Structures of Biological Macromolecules,The 47th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.49.s15_3 ◽

2009 ◽

Vol 49 (supplement) ◽

pp. S15

Author(s):

Wayne Kenneth Dawson ◽

Tohru Terada ◽

Kentaro Shimizu

Keyword(s):

Electron Transfer ◽

Electronic Structure ◽

Annual Meeting ◽

Electronic Structures ◽

Biological Macromolecules ◽

Iron Sulfur ◽

Biophysical Society

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2SP6-01 Introduction : From atomic structures to electronic structures of biological macromolecules(2SP6 Towards Supercomputing for Electronic Structures of Biological Macromolecules,The 47th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.49.s14_6 ◽

2009 ◽

Vol 49 (supplement) ◽

pp. S14

Author(s):

Haruki Nakamura

Keyword(s):

Annual Meeting ◽

Electronic Structures ◽

Biological Macromolecules ◽

Atomic Structures ◽

Biophysical Society

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2SP6-04 First principle analyses on reaction mechanism of metalloenzyme(2SP6 Towards Supercomputing for Electronic Structures of Biological Macromolecules,The 47th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.49.s15_2 ◽

2009 ◽

Vol 49 (supplement) ◽

pp. S15

Author(s):

Yasuteru Shigeta ◽

Katsumasa Kamiya

Keyword(s):

Reaction Mechanism ◽

Annual Meeting ◽

Electronic Structures ◽

Biological Macromolecules ◽

First Principle ◽

Biophysical Society

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2SP6-06 Transition-Density-Fragment Interaction Approach for Excitation-Energy Transfer in Xanthorhodopsin(2SP6 Towards Supercomputing for Electronic Structures of Biological Macromolecules,The 47th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.49.s15_4 ◽

2009 ◽

Vol 49 (supplement) ◽

pp. S15

Author(s):

Kazuhiro Fujimoto ◽

Shigehiko Hayashi

Keyword(s):

Energy Transfer ◽

Excitation Energy ◽

Annual Meeting ◽

Electronic Structures ◽

Excitation Energy Transfer ◽

Transition Density ◽

Biological Macromolecules ◽

Biophysical Society ◽

Interaction Approach ◽

Fragment Interaction

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3P-107 Quantum chemical studies of electronic structures and chemical indices of the active site of metalloprotein : Application to Hemerythrin(The 46th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.48.s144_2 ◽

2008 ◽

Vol 48 (supplement) ◽

pp. S144

Author(s):

Yu Takano ◽

Haruki Nakamura

Keyword(s):

Annual Meeting ◽

Active Site ◽

Electronic Structures ◽

Quantum Chemical ◽

Biophysical Society ◽

Chemical Studies ◽

Quantum Chemical Studies

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2SP6-03 Towards Understanding of Protein Electronic Structures and their Biochemical Reactions by Supercomputing(2SP6 Towards Supercomputing for Electronic Structures of Biological Macromolecules,The 47th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.49.s15_1 ◽

2009 ◽

Vol 49 (supplement) ◽

pp. S15

Author(s):

Yasushige Yonezawa ◽

Yu Takano ◽

Hideki Yamasaki ◽

Syusuke Yamanaka

Keyword(s):

Annual Meeting ◽

Electronic Structures ◽

Biological Macromolecules ◽

Biochemical Reactions ◽

Biophysical Society

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3G1434 Comparison of Antigen-Antibody Binding by the Fragment Molecular Orbital Calculations for Swine-Origin Influenza Hemagglutinin Proteins(3G Protein: Structure 4,The 49th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.51.s131_5 ◽

2011 ◽

Vol 51 (supplement) ◽

pp. S131

Author(s):

Akio Yoshioka ◽

Shigenori Tanaka

Keyword(s):

Protein Structure ◽

Annual Meeting ◽

Molecular Orbital ◽

Antibody Binding ◽

Molecular Orbital Calculations ◽

Fragment Molecular Orbital ◽

Influenza Hemagglutinin ◽

Biophysical Society ◽

Antigen Antibody

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ChemInform Abstract: QUANTUM CHEMICAL CALCULATION OF ELECTRONIC STRUCTURES AND COMPARISON OF REACTIVITY INDEXES FOR THIOUREA AND ITS DERIVATIVES

Chemischer Informationsdienst ◽

10.1002/chin.197713062 ◽

1977 ◽

Vol 8 (13) ◽

pp. no-no

Author(s):

G. A. KITAEV ◽

YU. N. MAKURIN ◽

V. I. DVOININ

Keyword(s):

Quantum Chemical Calculation ◽

Electronic Structures ◽

Quantum Chemical ◽

Chemical Calculation ◽

Reactivity Indexes

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