福澤 薫

研究成果

年別の研究成果 1997 2006 2009 2017 2020 2021 2022 2023

• 104 Article
• 5 Chapter
• 3 Review article
• 2 Comment/debate

年別の研究成果

年別の研究成果

検索結果

• 2006

  Molecular interactions between estrogen receptor and its ligand studied by the ab initio fragment molecular orbital method

  Fukuzawa, K., Mochizuki, Y., Tanaka, S., Kitaura, K. & Nakano, T., 2006 8月 17, In: Journal of Physical Chemistry B. 110, 32, p. 16102-16110 9 p.

  研究成果: Article › 査読

  • Estradiol 100%
  • Estrogen 60%
  • Estrogen Receptor 60%
  • Ligand 50%
  • Charge Transfer Interaction 40%
  102 被引用数 (Scopus)

• VISCANA: Visualized cluster analysis of protein - Ligand interaction based on the ab initio fragment molecular orbital method for virtual ligand screening

  Amari, S., Aizawa, M., Zhang, J., Fukuzawa, K., Mochizuki, Y., Iwasawa, Y., Nakata, K., Chuman, H. & Nakano, T., 2006, In: Journal of chemical information and modeling. 46, 1, p. 221-230 10 p.

  研究成果: Article › 査読

  • Ligand 100%
  • Energy 75%
  • Protein-Ligand Interaction 50%
  • Molecular Orbital Method 37%
  • Analytical Method 37%
  109 被引用数 (Scopus)
• 2005

  Ab initio quantum mechanical study of the binding energies of human estrogen receptor α with its ligands: An application of fragment molecular orbital method

  Fukuzawa, K., Kitaura, K., Uebayasi, M., Nakata, K., Kaminuma, T. & Nakano, T., 2005 1月 15, In: Journal of Computational Chemistry. 26, 1, p. 1-10 10 p.

  研究成果: Article › 査読

  • Ligand 100%
  • Protein 75%
  • Binding Energy 62%
  • Estradiol 50%
  • Atom 37%
  110 被引用数 (Scopus)

• A configuration analysis for fragment interaction

  Mochizuki, Y., Fukuzawa, K., Kato, A., Tanaka, S., Kitaura, K. & Nakano, T., 2005 7月 20, In: Chemical Physics Letters. 410, 4-6, p. 247-253 7 p.

  研究成果: Article › 査読

  • Energy 100%
  • Configuration 100%
  • Analytical Method 100%
  • Relaxation 100%
  • Electron Particle 50%
  75 被引用数 (Scopus)

• Numerical methodology of sodium-water reaction with multiphase flow analysis

  Takata, T., Yamaguchi, A., Fukuzawa, K. & Matsubara, K., 2005 6月, In: Nuclear Science and Engineering. 150, 2, p. 221-236 16 p.

  研究成果: Article › 査読

  • Chemical Reaction 100%
  • Flow Analysis 80%
  • Sodium 70%
  • Water Type 60%
  • Gas Phase Reaction 60%
  30 被引用数 (Scopus)
• 2004

  Ab initio potential energy surfaces of the ion-molecule reaction: C ₂H ₂+O ⁺

  Fukuzawa, K., Matsushita, T. & Morokuma, K., 2004 8月 15, In: Journal of Chemical Physics. 121, 7, p. 3117-3129 13 p.

  研究成果: Article › 査読

  • Collision 100%
  • Potential Energy Surface 100%
  • Charge Transfer 100%
  • Chemical Reaction 100%
  • Chemical Reaction Product 100%
  4 被引用数 (Scopus)
• 2003

  Fragment molecular orbital method: Application to molecular dynamics simulation, 'ab initio FMO-MD'

  Komeiji, Y., Nakano, T., Fukuzawa, K., Ueno, Y., Inadomi, Y., Nemoto, T., Uebayasi, M., Fedorov, D. G. & Kitaura, K., 2003 4月 29, In: Chemical Physics Letters. 372, 3-4, p. 342-347 6 p.

  研究成果: Article › 査読

  • Molecular Dynamics 100%
  • Molecular Orbital Method 50%
  • Molecule 20%
  • Procedure 20%
  • Evolution 10%
  98 被引用数 (Scopus)

• Fragment molecular orbital study of the binding energy of ligands to the estrogen receptor

  Fukuzawa, K., Kitaura, K., Nakata, K., Kaminuma, T. & Nakano, T., 2003 1月 1, In: Pure and Applied Chemistry. 75, 11-12, p. 2405-2410 6 p.

  研究成果: Article › 査読

  • Binding Energy 100%
  • Amino Acids 75%
  • Estrogen Receptor 50%
  • Binding Affinity 50%
  • Protein 50%
  23 被引用数 (Scopus)
• 2002

  Fragment molecular orbital method: Use of approximate electrostatic potential

  Nakano, T., Kaminuma, T., Sato, T., Fukuzawa, K., Akiyama, Y., Uebayasi, M. & Kitaura, K., 2002 1月 17, In: Chemical Physics Letters. 351, 5-6, p. 475-480 6 p.

  研究成果: Article › 査読

  • Procedure 100%
  • Molecule 100%
  • Electrostatic Potential 66%
  • Molecular Orbital Method 66%
  • Total Energy 66%
  356 被引用数 (Scopus)
• 2001

  An ab initio and experimental study of vibrational effects in low energy O ⁺+C ₂H ₂ charge-transfer collisions

  Fukuzawa, K., Matsushita, T., Morokuma, K., Levandier, D. J., Chiu, Y. H., Dressler, R. A., Murad, E., Midey, A., Williams, S. & Viggiano, A. A., 2001 8月 15, In: Journal of Chemical Physics. 115, 7, p. 3184-3194 11 p.

  研究成果: Article › 査読

  • Charge Transfer 100%
  • Energy 80%
  • Collision 40%
  • Reaction Temperature 40%
  • Ion 20%
  7 被引用数 (Scopus)
• 1999

  A molecular orbital study of the HC₃NH⁺ + e^- dissociative recombination and its role in the production of cyanoacetylene isomers in interstellar clouds

  Osamura, Y., Fukuzawa, K., Terzieva, R. & Herbst, E., 1999 7月 10, In: Astrophysical Journal. 519, 2 PART 1, p. 697-704 8 p.

  研究成果: Article › 査読

  • Compound Isomer 100%
  • Electron Particle 50%
  • Molecule 50%
  • Recombination 50%
  • Molecules 50%
  53 被引用数 (Scopus)

• Ion-molecule reactions producing HC₃NH⁺ in interstellar space: Forbiddenness of the reaction between cyclic C₃H⁺₃ and the N atom

  Takagi, N., Fukuzawa, K., Osamura, Y. & Schaefer, H. F., 1999 11月 10, In: Astrophysical Journal. 525, 2 PART 1, p. 791-798 8 p.

  研究成果: Article › 査読

  • Atoms 100%
  • Potential Energy 50%
  • Molecules 50%
  • Ion 33%
  • Ground State 33%
  20 被引用数 (Scopus)
• 1998

  Are neutral-neutral reactions effective for the carbon-chain growth of cyanopolyynes and polyacetylenes in interstellar space?

  Fukuzawa, K., 1998, In: Astrophysical Journal. 505, 1 PART I, p. 278-285 8 p.

  研究成果: Article › 査読
  46 被引用数 (Scopus)
• 1997

  Molecular orbital study of neutral-neutral reactions concerning HC₃N formation in interstellar space

  Fukuzawa, K. & Osamura, Y., 1997, In: Astrophysical Journal. 489, 1 PART I, p. 113-121 9 p.

  研究成果: Article › 査読

  Open Access

  • Chemical Reaction 100%
  • Compound Isomer 40%
  • Molecule 40%
  • Molecules 40%
  • Potential Energy Surface 20%
  58 被引用数 (Scopus)