2P-090 Energy profiles of thioester derivertives obtained by quantum chemical calculations(The 46th Annual Meeting of the Biophysical Society of Japan)

Akifumi Oda; Ohgi Takahashi; Yu Takano

doi:10.2142/biophys.48.s89_1

2P-090 Energy profiles of thioester derivertives obtained by quantum chemical calculations(The 46th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.48.s89_1 ◽

2008 ◽

Vol 48 (supplement) ◽

pp. S89

Author(s):

Akifumi Oda ◽

Ohgi Takahashi ◽

Yu Takano

Keyword(s):

Annual Meeting ◽

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Energy Profiles ◽

Biophysical Society

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2F1400 Full-Quantum Chemical Calculations of the Absorption Maxima of Retinal Proteins(Photobiology:Vision & Photoreception II,Oral Presentation,The 50th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.52.s47_4 ◽

2012 ◽

Vol 52 (supplement) ◽

pp. S47

Author(s):

Tomohiko Hayashi ◽

Azuma Matsuura ◽

Hiroyuki Sato ◽

Minoru Sakurai

Keyword(s):

Annual Meeting ◽

Quantum Chemical Calculations ◽

Oral Presentation ◽

Quantum Chemical ◽

Biophysical Society ◽

Retinal Proteins ◽

Full Quantum

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3D1112 Reduction of side reaction due to mutations in P450 vitamin D3 hydroxylase : Free energy and quantum chemical calculations(3D Protein: Structure & Function 2,The 49th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.51.s118_4 ◽

2011 ◽

Vol 51 (supplement) ◽

pp. S118

Author(s):

Jiro Shimada ◽

Yoshifumi Fukunishi ◽

Hiroaki Fukunishi ◽

Hirotaka Yagi ◽

Hiroshi Isobe ◽

...

Keyword(s):

Free Energy ◽

Protein Structure ◽

Structure Function ◽

Annual Meeting ◽

Quantum Chemical Calculations ◽

Vitamin D3 ◽

Quantum Chemical ◽

Side Reaction ◽

3D Protein Structure ◽

Biophysical Society

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1P267 All atom quantum chemical calculations for the excitation energies of retinal proteins and GFP(Photobiology:Vision & Photoreception,The 48th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.50.s66_5 ◽

2010 ◽

Vol 50 (supplement2) ◽

pp. S66-S67

Author(s):

Azuma Matsuura ◽

Tomohiko Hayashi ◽

Hiroyuki Sato ◽

Atsuya Takahashi ◽

Minoru Sakurai

Keyword(s):

Annual Meeting ◽

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Excitation Energies ◽

Biophysical Society ◽

Retinal Proteins

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3PT225 Interaction Analysis of HIV-1 Antibody 2G12 and Glycans by Large-Scale Quantum Chemical Calculations based on FMO method(The 50th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.52.s179_3 ◽

2012 ◽

Vol 52 (supplement) ◽

pp. S179

Author(s):

Kaori Noto ◽

Yuka Koyama ◽

Keiko Takano

Keyword(s):

Annual Meeting ◽

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Large Scale ◽

Interaction Analysis ◽

Biophysical Society ◽

Hiv 1 ◽

Antibody 2G12

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1P019 A computational study for structural features of selenium-containing amino acids using quantum chemical calculations(Protein:Structure,The 48th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.50.s22_2 ◽

2010 ◽

Vol 50 (supplement2) ◽

pp. S22

Author(s):

Akifumi Oda ◽

Ohgi Takahashi ◽

Yu Takano

Keyword(s):

Amino Acids ◽

Annual Meeting ◽

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Computational Study ◽

Structural Features ◽

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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2PT138 Features of Amino Acids Changes Determining the Glycan Specificities of Influenza Hemagglutinins : Interaction Energy Profiles(The 50th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.52.s128_4 ◽

2012 ◽

Vol 52 (supplement) ◽

pp. S128

Author(s):

Katsumi Omagari

Keyword(s):

Amino Acids ◽

Interaction Energy ◽

Annual Meeting ◽

Energy Profiles ◽

Biophysical Society

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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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3P-108 Mechanism of glycosidic bond cleavage in collision induced dissociation II : quantum chemical study on structure of oligosaccharide(The 46th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.48.s144_3 ◽

2008 ◽

Vol 48 (supplement) ◽

pp. S144

Author(s):

Satoshi Yokojima ◽

Tatiana A. Romanova ◽

Akinori Murakami ◽

Shusaku Daikoku ◽

Osamu Kanie ◽

...

Keyword(s):

Annual Meeting ◽

Quantum Chemical ◽

Bond Cleavage ◽

Quantum Chemical Study ◽

Chemical Study ◽

Glycosidic Bond ◽

Collision Induced Dissociation ◽

Biophysical Society ◽

Glycosidic Bond Cleavage

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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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