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)

Electronic Structures ◽

Quantum Chemical ◽

Antibody Binding ◽

Chemical Calculation ◽

Influenza Hemagglutinin ◽

Biophysical Society ◽

Mutation Prediction

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 ◽

Electronic Structures ◽

Quantum Chemical ◽

Antibody Binding ◽

Chemical Calculation ◽

Influenza Hemagglutinin ◽

Biophysical Society ◽

Mutation Prediction

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 ◽

Antibody Binding ◽

Chemical Calculation ◽

Influenza Hemagglutinin ◽

Mutation Prediction

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 ◽

Iron Sulfur ◽

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 ◽

Atomic Structures ◽

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 ◽

First Principle ◽

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 ◽

Biophysical Society ◽

Interaction Approach ◽

Fragment Interaction

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

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 ◽

Biochemical Reactions ◽

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

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):

Electronic Structures ◽

Quantum Chemical ◽

Chemical Calculation ◽

Reactivity Indexes