1P050 Secondary Structure Principal Component Analysis of Protein Molecular Dynamics Simulations(01C. Protein : Property,Poster,The 52nd Annual Meeting of the Biophysical Society of Japan(BSJ2014))

Secondary Structure ◽

Annual Meeting ◽

Principal Component ◽

Protein Property ◽

Biophysical Society ◽

Dynamics Simulations ◽

Protein Molecular Dynamics

3P075 Pressure dependence of protein conformations studied by generalized simulated tempering molecular dynamics simulations(Protein: Property,The 48th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.50.s158_1 ◽

2010 ◽

Vol 50 (supplement2) ◽

pp. S158

Author(s):

Yoshiharu Mori ◽

Yuko Okamoto

Keyword(s):

Molecular Dynamics ◽

Annual Meeting ◽

Pressure Dependence ◽

Protein Conformations ◽

Protein Property ◽

Biophysical Society ◽

Simulated Tempering ◽

3P071 multibaric-multithermal molecular dynamics simulations of a polyalanine(Protein: Property,The 48th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.50.s157_3 ◽

2010 ◽

Vol 50 (supplement2) ◽

pp. S157

Author(s):

Hisashi Okumura

Keyword(s):

Molecular Dynamics ◽

Annual Meeting ◽

Protein Property ◽

Biophysical Society ◽

1P058 Molecular dynamics simulations for structure changes of PRSet7 by ligand binding(01C. Protein : Property,Poster,The 52nd Annual Meeting of the Biophysical Society of Japan(BSJ2014))

Seibutsu Butsuri ◽

10.2142/biophys.54.s150_4 ◽

2014 ◽

Vol 54 (supplement1-2) ◽

pp. S150

Author(s):

Takako Sakano ◽

Hideaki Fujitani

Keyword(s):

Molecular Dynamics ◽

Ligand Binding ◽

Annual Meeting ◽

Structure Changes ◽

Protein Property ◽

Biophysical Society ◽

2P052 Calculation methods for configurational entropy from molecular dynamics simulations(01C. Protein: Property,Poster,The 52nd Annual Meeting of the Biophysical Society of Japan(BSJ2014))

Seibutsu Butsuri ◽

10.2142/biophys.54.s203_4 ◽

2014 ◽

Vol 54 (supplement1-2) ◽

pp. S203

Author(s):

Simon Hikiri ◽

Takashi Yoshidome ◽

Mitsunori Ikeguchi

Keyword(s):

Molecular Dynamics ◽

Annual Meeting ◽

Configurational Entropy ◽

Calculation Methods ◽

Protein Property ◽

Biophysical Society ◽

Faculty Opinions recommendation of Principal component analysis of nonequilibrium molecular dynamics simulations.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.735899830.793561013 ◽

2019 ◽

Author(s):

Jeremy C Smith

Keyword(s):

Molecular Dynamics ◽

Principal Component ◽

Component Analysis ◽

Nonequilibrium Molecular Dynamics ◽

Molecular mechanism concerning conformational changes of CDK2 mediated by binding of inhibitors using molecular dynamics simulations and principal component analysis

SAR and QSAR in Environmental Research ◽

10.1080/1062936x.2021.1934896 ◽

2021 ◽

pp. 1-22

Author(s):

S.S. Liang ◽

X.G. Liu ◽

Y.X. Cui ◽

S.L. Zhang ◽

Q.G. Zhang ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Mechanism ◽

Conformational Changes ◽

Principal Component ◽

Component Analysis ◽

1P242 1I1435 Analysis of the effect of water molecules on lipid bilayer dynamics in aqueous salt solutions using molecular dynamics simulations(Biol & Artifi memb.:Dynamics,Oral Presentations,The 48th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.50.s62_2 ◽

2010 ◽

Vol 50 (supplement2) ◽

pp. S62

Author(s):

Rina Kagawa ◽

Yoshinori Hirano ◽

Kenji Yasuoka ◽

Masato Yasui

Keyword(s):

Molecular Dynamics ◽

Annual Meeting ◽

Lipid Bilayer ◽

Water Molecules ◽

Salt Solutions ◽

Aqueous Salt Solutions ◽

Biophysical Society ◽

Dynamics Simulations ◽

Oral Presentations

3P314 Conformational analysis of PA-glycans by replica-exchange molecular dynamics simulations(30.Miscellaneous topics,Poster,The 51st Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.53.s264_1 ◽

2013 ◽

Vol 53 (supplement1-2) ◽

pp. S264

Author(s):

Shigehisa Watanabe ◽

Suyong Re ◽

Eiro Muneyuki ◽

Yuji Sugita

Keyword(s):

Molecular Dynamics ◽

Conformational Analysis ◽

Annual Meeting ◽

Replica Exchange ◽

Replica Exchange Molecular Dynamics ◽

Biophysical Society ◽

Insights in the structural understanding of amyloidogenicity and mutation-led conformational dynamics of amyloid beta (Aβ) through molecular dynamics simulations and principal component analysis

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2021.1871955 ◽

2021 ◽

pp. 1-11

Author(s):

Sriram Srinivasa Raghavan ◽

Saleem Iqbal ◽

Niraikulam Ayyadurai ◽

Krishnasamy Gunasekaran

Keyword(s):

Molecular Dynamics ◽

Amyloid Beta ◽

Conformational Dynamics ◽

Principal Component ◽

Component Analysis ◽

1P-030 Analysis of Tension Sensing Sites of E-coli Mechanosensitive Channel MscL Using Molecular Dynamics Simulations(The 46th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.48.s25_4 ◽

2008 ◽

Vol 48 (supplement) ◽

pp. S25

Author(s):

Yasuyuki Sawada ◽

Masaki Murase ◽

Masahiro Sokabe

Keyword(s):

Molecular Dynamics ◽

Annual Meeting ◽

Mechanosensitive Channel ◽

E Coli ◽

Biophysical Society ◽