2P-003 Theoretical investigation of enzymatic reaction mechanism by molecular docking and QM/MM-MD simulations(The 46th Annual Meeting of the Biophysical Society of Japan)

Yohsuke Hagiwara; Osamu Nureki; Masaru Tateno

doi:10.2142/biophys.48.s75_3

2P-003 Theoretical investigation of enzymatic reaction mechanism by molecular docking and QM/MM-MD simulations(The 46th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.48.s75_3 ◽

2008 ◽

Vol 48 (supplement) ◽

pp. S75

Author(s):

Yohsuke Hagiwara ◽

Osamu Nureki ◽

Masaru Tateno

Keyword(s):

Molecular Docking ◽

Reaction Mechanism ◽

Annual Meeting ◽

Theoretical Investigation ◽

Enzymatic Reaction ◽

Md Simulations ◽

Biophysical Society ◽

Enzymatic Reaction Mechanism

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2D1412 The enzymatic reaction mechanism of dihyrolipoamid dehydrogenase revealed by the fluorescence of FAD(Protein: Structure & Function 1,The 48th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.51.s79_4 ◽

2011 ◽

Vol 51 (supplement) ◽

pp. S79

Author(s):

Sayaka Matsumoto ◽

Etsuko Nishimoto ◽

Shoji Yamashita

Keyword(s):

Reaction Mechanism ◽

Protein Structure ◽

Structure Function ◽

Annual Meeting ◽

Enzymatic Reaction ◽

Biophysical Society ◽

Enzymatic Reaction Mechanism

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1P-106 MD Simulations for Quaternary Structural Changes of Hemoglobin on the Earth Simulator(The 46th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.48.s37_5 ◽

2008 ◽

Vol 48 (supplement) ◽

pp. S37

Author(s):

Minoru Saito ◽

Isao Okazaki

Keyword(s):

Annual Meeting ◽

Structural Changes ◽

Md Simulations ◽

The Earth ◽

Biophysical Society

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1M1348 The interface structure between kinesin and microtubule refined by all-atom MD simulations(Molecular motor 2,The 49th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.51.s63_5 ◽

2011 ◽

Vol 51 (supplement) ◽

pp. S63

Author(s):

Ryo Kanada ◽

Tsukasa Makino ◽

Michio Tomishige ◽

Shoji Takada

Keyword(s):

Annual Meeting ◽

Molecular Motor ◽

Md Simulations ◽

Interface Structure ◽

Biophysical Society

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Spectroscopic characterization of hydroxyquinoline derivatives with bromine and iodine atoms and theoretical investigation by DFT calculations, MD simulations and molecular docking studies

Journal of Molecular Structure ◽

10.1016/j.molstruc.2018.04.077 ◽

2018 ◽

Vol 1167 ◽

pp. 95-106 ◽

Cited By ~ 7

Author(s):

B. Sureshkumar ◽

Y.Sheena Mary ◽

K.S. Resmi ◽

S. Suma ◽

Stevan Armaković ◽

...

Keyword(s):

Molecular Docking ◽

Dft Calculations ◽

Theoretical Investigation ◽

Md Simulations ◽

Spectroscopic Characterization ◽

Docking Studies ◽

Molecular Docking Studies

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2P-100 Fibril formation process and reaction mechanism of hCT as studied by high-resolution solid-state NMR and transmission electron microscope(The 46th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.48.s90_5 ◽

2008 ◽

Vol 48 (supplement) ◽

pp. S90

Author(s):

Hikari Itoh ◽

Kengo Daidoji ◽

Miya Kamihira ◽

Masasi Kondoh ◽

Mitio Satoh ◽

...

Keyword(s):

Electron Microscope ◽

Reaction Mechanism ◽

Solid State ◽

High Resolution ◽

Annual Meeting ◽

Transmission Electron Microscope ◽

Formation Process ◽

Solid State Nmr ◽

Transmission Electron ◽

Biophysical Society

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1P011 EXQUISITE STRUCTURE AND REACTION MECHANISM OF BACTERIAL PZ PEPTIDASE A TOWARD COLLAGENOUS PEPTIDES(Protein:Structure,The 48th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.50.s20_5 ◽

2010 ◽

Vol 50 (supplement2) ◽

pp. S20-S21

Author(s):

Hiroaki Nakano ◽

Allin Hosokawa ◽

Toru Nakatsu ◽

Hiroaki Kato ◽

Kunihiko Watanabe

Keyword(s):

Reaction Mechanism ◽

Annual Meeting ◽

Biophysical Society

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2P161 Molecular Orbital Analysis to investigate the Reaction Mechanism of ATP Hydrolysis in Myosin Motor Domain(The 48th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.50.s110_5 ◽

2010 ◽

Vol 50 (supplement2) ◽

pp. S110-S111

Author(s):

Hiroshi Kagawa ◽

Hiroto Kikuchi ◽

Hiroshi Fujisaki ◽

Yoshinori Nagai ◽

Hiroshi Wako

Keyword(s):

Reaction Mechanism ◽

Annual Meeting ◽

Molecular Orbital ◽

Atp Hydrolysis ◽

Motor Domain ◽

Myosin Motor ◽

Myosin Motor Domain ◽

Biophysical Society ◽

Molecular Orbital Analysis ◽

Orbital Analysis

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1P-093 Stochastic and dynamic pathways detected by quasi-static mechanical unzipping of single-base pair of DNA and MD simulations(Nucleic acid:Structure & Property, The 47th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.49.s78_3 ◽

2009 ◽

Vol 49 (supplement) ◽

pp. S78

Author(s):

Akihiro Fukagawa ◽

Michio Hiroshima ◽

Makio Tokunaga

Keyword(s):

Annual Meeting ◽

Base Pair ◽

Md Simulations ◽

Single Base ◽

Biophysical Society ◽

Static Mechanical ◽

Single Base Pair

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3P-049 Theoretical study on the reaction mechanism of adenylate kinase by QM/MM method(The 46th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.48.s135_1 ◽

2008 ◽

Vol 48 (supplement) ◽

pp. S135

Author(s):

Kenshu Kamiya

Keyword(s):

Reaction Mechanism ◽

Annual Meeting ◽

Adenylate Kinase ◽

Theoretical Study ◽

Biophysical Society

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1D1336 Theoretical Investigation of Structural Stability of β-Helix Model for Amyloid Fibrils from Yeast Prion Sup35(Protein: Property 1,The 49th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.51.s36_5 ◽

2011 ◽

Vol 51 (supplement) ◽

pp. S36-S37

Author(s):

Daiki Kondo ◽

Kyohei Hanaoka ◽

Moonyoung Yang ◽

Katsumasa Kamiya ◽

Mitsuo Shoji ◽

...

Keyword(s):

Annual Meeting ◽

Structural Stability ◽

Theoretical Investigation ◽

Amyloid Fibrils ◽

Yeast Prion ◽

Protein Property ◽

Biophysical Society

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