2P030 Ab initio molecular simulation for proposing novel peptide inhibitors blocking the ligand-binding to the receptor of cancer cell(01B. Protein: Structure & Function,Poster,The 52nd Annual Meeting of the Biophysical Society of Japan(BSJ2014))

Tatsuro Mizushima; Ryushi Kadoya; Tomoyo Kasumi; Hiroshi Kobayashi; Noriyuki Kurita

doi:10.2142/biophys.54.s199_6

2P030 Ab initio molecular simulation for proposing novel peptide inhibitors blocking the ligand-binding to the receptor of cancer cell(01B. Protein: Structure & Function,Poster,The 52nd Annual Meeting of the Biophysical Society of Japan(BSJ2014))

Seibutsu Butsuri ◽

10.2142/biophys.54.s199_6 ◽

2014 ◽

Vol 54 (supplement1-2) ◽

pp. S199

Author(s):

Tatsuro Mizushima ◽

Ryushi Kadoya ◽

Tomoyo Kasumi ◽

Hiroshi Kobayashi ◽

Noriyuki Kurita

Keyword(s):

Protein Structure ◽

Ligand Binding ◽

Structure Function ◽

Ab Initio ◽

Annual Meeting ◽

Molecular Simulation ◽

Cancer Cell ◽

Peptide Inhibitors ◽

Biophysical Society

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1P026 MD and ab initio MO simulations on transcriptional mechanism controlled by lactose repressor protein and ligand(Protein: Structure & Function,Poster,The 52th Annual Meeting of the Biophysical Society of Japan(BSJ2014))

Seibutsu Butsuri ◽

10.2142/biophys.54.s145_2 ◽

2014 ◽

Vol 54 (supplement1-2) ◽

pp. S145

Author(s):

Matsushita Yuki ◽

Shimamura Kanako ◽

Oishi Masato ◽

Ohyama Tatsuya ◽

Kurita Noriyuki

Keyword(s):

Protein Structure ◽

Structure Function ◽

Ab Initio ◽

Annual Meeting ◽

Repressor Protein ◽

Lactose Repressor ◽

Biophysical Society ◽

Ab Initio Mo

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3P033 Molecular simulation study on the mechanism of substrate uptake in cellulase TrCel7A(01B. Protein: Structure & Function,Poster,The 52nd Annual Meeting of the Biophysical Society of Japan(BSJ2014))

Seibutsu Butsuri ◽

10.2142/biophys.54.s254_3 ◽

2014 ◽

Vol 54 (supplement1-2) ◽

pp. S254

Author(s):

Takashi Kanazawa ◽

Minoru Sakurai ◽

Tadaomi Furuta

Keyword(s):

Protein Structure ◽

Structure Function ◽

Annual Meeting ◽

Molecular Simulation ◽

Simulation Study ◽

Substrate Uptake ◽

Biophysical Society

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2P029 Ab initio fragment molecular orbital calculations on specific interactions between butylcholinesterase and its inhibitors(01B. Protein: Structure & Function,Poster,The 52nd Annual Meeting of the Biophysical Society of Japan(BSJ2014))

Seibutsu Butsuri ◽

10.2142/biophys.54.s199_5 ◽

2014 ◽

Vol 54 (supplement1-2) ◽

pp. S199

Author(s):

Takeru Murakawa ◽

Tomoya Suzuki ◽

Tareq Khan ◽

Noriyuki Kurita

Keyword(s):

Protein Structure ◽

Structure Function ◽

Ab Initio ◽

Annual Meeting ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

Specific Interactions ◽

Fragment Molecular Orbital ◽

Biophysical Society

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3D0948 Application of CS-PCA (Chemical shift-principle component analysis) to the NMR data on a multiple-ligand-binding system(3D Protein: Structure & Function 2,The 49th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.51.s117_4 ◽

2011 ◽

Vol 51 (supplement) ◽

pp. S117

Author(s):

Kazumasa Sakurai ◽

Tsuyoshi Konuma ◽

Yuji Goto

Keyword(s):

Protein Structure ◽

Chemical Shift ◽

Ligand Binding ◽

Structure Function ◽

Annual Meeting ◽

Principle Component Analysis ◽

3D Protein Structure ◽

Nmr Data ◽

Biophysical Society ◽

Multiple Ligand

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3P034 Replica exchange MD and ab initio fragment MO calculations for searching stable conformations of amyloid-b dimer in water(01B. Protein: Structure & Function,Poster,The 52nd Annual Meeting of the Biophysical Society of Japan(BSJ2014))

Seibutsu Butsuri ◽

10.2142/biophys.54.s254_4 ◽

2014 ◽

Vol 54 (supplement1-2) ◽

pp. S254

Author(s):

Hiromi Ishimura ◽

Akisumi Okamoto ◽

Atsushi Yano ◽

Noriyuki Kurita

Keyword(s):

Protein Structure ◽

Structure Function ◽

Ab Initio ◽

Annual Meeting ◽

Replica Exchange ◽

Mo Calculations ◽

Biophysical Society

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2P032 The factors determining protein-ligand binding processes revealed by comparative coarse-grained simulations(01B. Protein: Structure & Function,Poster,The 52nd Annual Meeting of the Biophysical Society of Japan(BSJ2014))

Seibutsu Butsuri ◽

10.2142/biophys.54.s200_2 ◽

2014 ◽

Vol 54 (supplement1-2) ◽

pp. S200

Author(s):

Tatsuki Negami ◽

Tohru Terada ◽

Kentaro Shimizu

Keyword(s):

Protein Structure ◽

Ligand Binding ◽

Structure Function ◽

Annual Meeting ◽

Coarse Grained ◽

Biophysical Society ◽

Coarse Grained Simulations

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3P030 A Study for the Structural and Physicochemical Properties of Sociable Ligand-Binding Sites in Proteins(01B. Protein: Structure & Function,Poster,The 52nd Annual Meeting of the Biophysical Society of Japan(BSJ2014))

Seibutsu Butsuri ◽

10.2142/biophys.54.s253_6 ◽

2014 ◽

Vol 54 (supplement1-2) ◽

pp. S253

Author(s):

Yoichi Murakami ◽

Kengo Kinoshita

Keyword(s):

Protein Structure ◽

Ligand Binding ◽

Physicochemical Properties ◽

Structure Function ◽

Annual Meeting ◽

Binding Sites ◽

Ligand Binding Sites ◽

Biophysical Society

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3D1012 Protein-ligand binding simulation with a coarse-graind force field, MARTINI(3D Protein: Structure & Function 2,The 49th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.51.s117_5 ◽

2011 ◽

Vol 51 (supplement) ◽

pp. S117-S118

Author(s):

Tatsuki Negami ◽

Tohru Terada ◽

Kentaro Shimizu

Keyword(s):

Protein Structure ◽

Ligand Binding ◽

Force Field ◽

Structure Function ◽

Annual Meeting ◽

3D Protein Structure ◽

Biophysical Society

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2P034 High-speed AFM observation of structure and function of MukB(01B. Protein: Structure & Function,Poster,The 52nd Annual Meeting of the Biophysical Society of Japan(BSJ2014))

Seibutsu Butsuri ◽

10.2142/biophys.54.s200_4 ◽

2014 ◽

Vol 54 (supplement1-2) ◽

pp. S200

Author(s):

Kenta Yagi ◽

Koichi Yano ◽

Noriyuki Kodera ◽

Hironori Niki ◽

Toshio Ando

Keyword(s):

Protein Structure ◽

Structure Function ◽

Annual Meeting ◽

High Speed ◽

Structure And Function ◽

Biophysical Society ◽

And Function ◽

Afm Observation

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1P029 The role of weak interaction in a blue copper protein, plastocyanin from Ulva pertusa(Protein: Structure & Function,Poster,The 52th Annual Meeting of the Biophysical Society of Japan(BSJ2014))

Seibutsu Butsuri ◽

10.2142/biophys.54.s145_5 ◽

2014 ◽

Vol 54 (supplement1-2) ◽

pp. S145

Author(s):

Ikeda Soichiro ◽

Takashina Akiko ◽

Yamaguchi Takahide ◽

Aoki Risa ◽

Unno Masaki ◽

...

Keyword(s):

Protein Structure ◽

Structure Function ◽

Annual Meeting ◽

Weak Interaction ◽

Ulva Pertusa ◽

Blue Copper Protein ◽

Blue Copper ◽

Copper Protein ◽

Biophysical Society

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