2SP6-02 All-electron wavefunction calculation on proteins(2SP6 Towards Supercomputing for Electronic Structures of Biological Macromolecules,The 47th Annual Meeting of the Biophysical Society of Japan)

Toshiyuki Hirano; Fumitoshi Sato

doi:10.2142/biophys.49.s14_7

2SP6-02 All-electron wavefunction calculation on 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.s14_7 ◽

2009 ◽

Vol 49 (supplement) ◽

pp. S14-S15

Author(s):

Toshiyuki Hirano ◽

Fumitoshi Sato

Keyword(s):

Annual Meeting ◽

Electronic Structures ◽

Biological Macromolecules ◽

Biophysical Society ◽

Electron Wavefunction

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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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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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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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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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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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1P138 1YA0945 Electronic structures of the novel [4Fe-4S] cluster in dark-operative protochlorophyllide oxidoreductase(Electronic state,Early Research in Biophysics Award Candidate Presentations,Early Research in Biophysics Award,The 48th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.50.s43_5 ◽

2010 ◽

Vol 50 (supplement2) ◽

pp. S43-S44

Author(s):

Yu Takano ◽

Yasushige Yonezawa ◽

Yuichi Fujita ◽

Genji Kurisu ◽

Haruki Nakamura

Keyword(s):

Annual Meeting ◽

Electronic State ◽

Electronic Structures ◽

Early Research ◽

The Novel ◽

Protochlorophyllide Oxidoreductase ◽

Biophysical Society

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2D1436 Characteristic electronic structures of a novel [4Fe-4S] cluster in dark-operative protochlorophyllide oxidoreductase(DPOR)(Protein: Structure & Function 1,The 48th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.51.s80_1 ◽

2011 ◽

Vol 51 (supplement) ◽

pp. S80

Author(s):

Yu Takano ◽

Yasushige Yonezawa ◽

Yuichi Fujita ◽

Genji Kurisu ◽

Haruki Nakamura

Keyword(s):

Protein Structure ◽

Structure Function ◽

Annual Meeting ◽

Electronic Structures ◽

Protochlorophyllide Oxidoreductase ◽

Biophysical Society

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1P-008 High-throughput, high-resolution cryoEM structural analysis of helical assemblies of biological macromolecules toward atomic resolution(Protein:Structure, The 47th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.49.s64_5 ◽

2009 ◽

Vol 49 (supplement) ◽

pp. S64

Author(s):

Takashi Fujii ◽

Takayuki Kato ◽

Keiichi Namba

Keyword(s):

Structural Analysis ◽

High Resolution ◽

Annual Meeting ◽

High Throughput ◽

Atomic Resolution ◽

Biological Macromolecules ◽

Biophysical Society

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