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1

Molecular dynamics simulation of cis-1,4-polybutadiene. 1. Comparison with experimental data for static and dynamic properties

Okimasa Okada, Hidemine Furuya

Journal:

Année:

2002

Langue:

english

Fichier:

PDF, 137 KB

english, 2002

2

Roles of conserved basic amino acid residues and activation mechanism of the hyperthermophilic aspartate racemase at high temperature

Takumitsu Yoshida, Tomohiro Seko, Okimasa Okada, Kousuke Iwata, Lijun Liu, Kunio Miki, Masafumi Yohda

Journal:

Proteins: Structure, Function, and Bioinformatics

Année:

2006

Langue:

english

Fichier:

PDF, 1.37 MB

english, 2006

3

Molecular dynamics simulations of evolved collective motions of atoms in the myosin motor domain upon perturbation of the ATPase pocket

Tatsuyuki Kawakubo, Okimasa Okada, Tomoyuki Minami

Journal:

Biophysical Chemistry

Année:

2005

Langue:

english

Fichier:

PDF, 1.47 MB

english, 2005

4

Dynamic conformational changes due to the ATP hydrolysis in the motor domain of myosin: 10-ns molecular dynamics simulations

Tatsuyuki Kawakubo, Okimasa Okada, Tomoyuki Minami

Journal:

Biophysical Chemistry

Année:

2009

Langue:

english

Fichier:

PDF, 1.61 MB

english, 2009

5

Molecular dynamics simulation of cis-1,4-polybutadiene. 2. Chain motion and origin of the fast process

Okimasa Okada, Hidemine Furuya, Toshiji Kanaya

Journal:

Année:

2002

Langue:

english

Fichier:

PDF, 167 KB

english, 2002

6

Molecular dynamics simulations for glutamate-binding and cleft-closing processes of the ligand-binding domain of GluR2

Okimasa Okada, Kei Odai, Tohru Sugimoto, Etsuro Ito

Journal:

Biophysical Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 1.52 MB

english, 2012

7

Conformational analysis of liquid dimethyl carbonate by molecular dynamics calculations

Journal:

Molecular Physics

Année:

1998

Langue:

english

Fichier:

PDF, 199 KB

english, 1998

8

Phase transition and water molecules in titanylphthalocyanine phase Y crystal

Okada, Okimasa, Klein, Michael L.

Journal:

Physical Chemistry Chemical Physics

Année:

2001

Langue:

english

Fichier:

PDF, 190 KB

english, 2001

9

Prediction of the binding affinity of compounds with diverse scaffolds by MP-CAFEE

Okada, Okimasa, Yamashita, Hiroshi, Takedomi, Kei, Ono, Satoshi, Sunada, Shinji, Kubodera, Hideo

Journal:

Biophysical Chemistry

Année:

2013

Langue:

english

Fichier:

PDF, 602 KB

english, 2013

10

Gallium Phthalocyanines: Structure Analysis and Electroabsorption Study

Yamasaki, Kazuo, Okada, Okimasa, Inami, Kazuki, Oka, Kozo, Kotani, Masahiro, Yamada, Hideo

Journal:

Journal of Physical Chemistry B

Année:

1997

Langue:

english

Fichier:

PDF, 306 KB

english, 1997

11

Molecular dynamics studies of titanylphthalocyanine crystals

Okada, Okimasa, Klein, Michael L.

Journal:

Journal of the Chemical Society Faraday Transactions

Année:

1996

Langue:

english

Fichier:

PDF, 543 KB

english, 1996

12

Molecular Dynamics Studies of Amorphous Poly(Tetrafluoroethylene)

Okada, Okimasa, Oka, Kozo, Kuwajima, Satoru, Tanabe, Kazutoshi

Journal:

Molecular Simulation

Année:

1999

Langue:

english

Fichier:

PDF, 837 KB

english, 1999

13

Low-Energy Electronic States Related to Contact Electrification of Pendant-Group Polymers: Photoemission and Contact Potential Difference Measurement

Yanagida, Kazuhiko, Okada, Okimasa, Oka, Kozo

Journal:

Japanese Journal of Applied Physics

Année:

1993

Fichier:

PDF, 1.21 MB

1993

14

Study of the Crystal Structure of Titanylphthalocyanine by Rietveld Analysis. II

Okada, Okimasa, Oka, Kozo, Iijima, Masakazu

Journal:

Japanese Journal of Applied Physics

Année:

1993

Fichier:

PDF, 612 KB

1993

15

[AIP NOISE AND FLUCTUATIONS: 19th International Conference on Noise and Fluctuations; ICNF 2007 - Tokyo (Japan) (9-14 September 2007)] AIP Conference Proceedings - Dynamic Structure Change due to ATP Hydrolysis in the Motor Domain of Myosin: Molecular Dynamics Simulations

Kawakubo, Tatsuyuki, Okada, Okimasa, Minami, Tomoyuki

Année:

2007

Langue:

english

Fichier:

PDF, 642 KB

english, 2007

16

2P183 How Does the Energy Released by ATP Hydrolysis Spread throughout the Myosin Head? : Molecular Dynamics Simulations(37. Molecular motor (II),Poster Session,Abstract,Meeting Program of EABS & BSJ 2006)

Kawakubo, Tatsuyuki, Okada, Okimasa, Minami, Tomoyuki

Journal:

Seibutsu Butsuri

Année:

2006

Langue:

english

Fichier:

PDF, 150 KB

english, 2006

17

2P-047 Prediction of the order of binding free energies by non-equilibrium molecular dynamics simulations(The 46th Annual Meeting of the Biophysical Society of Japan)

Journal:

Seibutsu Butsuri

Année:

2008

Langue:

english

Fichier:

PDF, 298 KB

english, 2008

18

1P570 Molecular dynamics simulations of lysozyme variants lacking some of the disulfide bridges : a comparison with NMR observations(27. Molecular dynamics simulation,Poster Session,Abstract,Meeting Program of EABS & BSJ 2006)

Mizuguchi, Tomoki, Okada, Okimasa, Segawa, Shin-ichi

Journal:

Seibutsu Butsuri

Année:

2006

Langue:

english

Fichier:

PDF, 158 KB

english, 2006

19

3C1024 Molecular dynamics simulations for glutamate-binding and cleft-closing processes of the ligand-binding domain of GluR2(3C Protein: Funcrion 2,The 49th Annual Meeting of the Biophysical Society of Japan)

Okada, Okimasa, Odai, Kei, Sugimoto, Tohru, Ito, Etsuro

Journal:

Seibutsu Butsuri

Année:

2011

Langue:

english

Fichier:

PDF, 224 KB

english, 2011

20

Conformation and Permeability: Cyclic Hexapeptide Diastereomers

Ono, Satoshi, Naylor, Matthew R, Townsend, Chad E., Okumura, Chieko, Okada, Okimasa, Lokey, R. Scott

Journal:

Journal of Chemical Information and Modeling

Année:

2019

Langue:

english

Fichier:

PDF, 1.64 MB

english, 2019

21

Conformation and Permeability: Cyclic Hexapeptide Diastereomers

Ono, Satoshi, Naylor, Matthew R, Townsend, Chad E., Okumura, Chieko, Okada, Okimasa, Lokey, R. Scott

Journal:

Journal of Chemical Information and Modeling

Année:

2019

Fichier:

PDF, 1.64 MB

2019

22

Pyrazolo[4,3- d ]pyrimidine Derivatives as a Novel Hypoxia-Inducible Factor Prolyl Hydroxylase Domain Inhibitor for the Treatment of Anemia

Goi, Takashi, Nakajima, Tatsuo, Komatsu, Yoshiyuki, Kawata, Atsushi, Yamakoshi, Shuhei, Okada, Okimasa, Sugahara, Masakatsu, Umeda, Asami, Takada, Yoko, Murakami, Jun, Ohashi, Rikiya, Watanabe, Tomoko

Journal:

ACS Medicinal Chemistry Letters

Année:

2020

Fichier:

PDF, 1.50 MB

2020

23

Drugâlike properties in macrocycles above MW 1000: Backbone rigidity vs. sideâchain lipophilicity

Furukawa, Akihiro, Schwochert, Joshua, Pye, Cameron R., Asano, Daigo, Edmondson, Quinn D., Turmon, Alexandra, Klein, Victoria, Ono, Satoshi, Okada, Okimasa, Lokey, R. Scott

Journal:

Angewandte Chemie International Edition

Année:

2020

Fichier:

PDF, 1.14 MB

2020

24

DrugâLike Properties in Macrocycles above MW 1000: Backbone Rigidity versus SideâChain Lipophilicity

Furukawa, Akihiro, Schwochert, Joshua, Pye, Cameron R., Asano, Daigo, Edmondson, Quinn D., Turmon, Alexandra C., Klein, Victoria G., Ono, Satoshi, Okada, Okimasa, Lokey, R. Scott

Journal:

Angewandte Chemie

Année:

2020

Fichier:

PDF, 1.39 MB

2020