Virtual reality system using force feedback device for molecular modeling

Hiroshi Mizushima, Hiroshi Nagata, Eriko Tanaka, Masaaki Hatsuta, Hiroshi Tanaka

研究成果: Conference contribution

抄録

We designed two new concept of computer aided molecular modeling system using virtual reality technologies. Although it is still a prototype, the most characteristic function of the system is enabling its user to 'touch' and feel the electrostatic potential field of a protein or a drug molecule. User can scan surface of a protein using a globular probe, which is given an electrostatic charge, controlled by a force feedback devise. The electrostatic force between the protein and the probe is calculated in real time, and immediately fed back into the force feedback device. The user can easily search interactively for positions where the probe is strongly attracted to the force field. Such positions can be regarded as candidate sites where small chemical groups corresponding to the probe, functional parts of lead compounds, can bind to the target protein. We also developed a binding simulator which we can bind a small molecule (drug) to a large molecule (protein). In this system, we placed a camera, so that we can not only 'feel' but also 'see' how drug fits into the binding site. Our prototype system has the potential to serve as a new application method as well as being applicable to conventional VR technologies, especially to force feedback technologies.

本文言語English
ホスト出版物のタイトルMEDINFO 2001 - Proceedings of the 10th World Congress on Medical Informatics
出版社IOS Press
ページ975-978
ページ数4
ISBN(印刷版)1586031945, 9781586031947
DOI
出版ステータスPublished - 2001
外部発表はい
イベント10th World Congress on Medical Informatics, MEDINFO 2001 - London, United Kingdom
継続期間: 2005 9月 22005 9月 5

出版物シリーズ

名前Studies in Health Technology and Informatics
84
ISSN(印刷版)0926-9630
ISSN(電子版)1879-8365

Other

Other10th World Congress on Medical Informatics, MEDINFO 2001
国/地域United Kingdom
CityLondon
Period05/9/205/9/5

ASJC Scopus subject areas

  • 生体医工学
  • 健康情報学
  • 健康情報管理

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