Study on the Cloud-like Visualization Model of Protein Molecule Orbitals by the Rejection Method

• EGUCHI Haruki

  Department of Mechanical Engineering, the University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, JAPAN

• HIRANO Toshiyuki

  Institute of Industrial Science, the University of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8505, JAPAN

• SATO Fumitoshi

  Department of Mechanical Engineering, the University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, JAPAN Institute of Industrial Science, the University of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8505, JAPAN

Bibliographic Information

Other Title

• 棄却法を用いたタンパク質分子軌道の雲状可視化法の研究
• (SCCJ Annual Meeting 2018 Autumn Poster Award Article)
• (SCCJ Annual Meeting 2018 Autumn Poster Award Article)

Abstract

The new visualization technique of canonical molecule orbitals (MOs) was developed with the cloud-like model. The random position points according with MO distribution were generated by the rejection method. Quasi-isosurface indication was proposed and succeeded in representation of internal structure containing inclusion-type isosurface. Because this method also displays a wide range of MO values simultaneously, MO distribution can be observed with little loss of information. This method is useful for analyses in the complicated protein MOs.

Journal

• Journal of Computer Chemistry, Japan

  Journal of Computer Chemistry, Japan 17 (5), 189-192, 2018

  Society of Computer Chemistry, Japan

Keywords

• Keywords Molecular orbital
• Protein
• Scientific visualization
• Rejection method
• Cloud-like model

Details

• CRID: 1390564238076259200
• NII Article ID: 130007596235
• DOI: 10.2477/jccj.2018-0062
• ISSN: 13473824
• ISSN: 13471767
• Web Site: https://www.jstage.jst.go.jp/article/jccj/17/5/17_2018-0062/_pdf
• Text Lang: ja
• Data Source:
  • JaLC
  • Crossref
  • CiNii Articles
  • KAKEN
• Abstract License Flag: Disallowed