[Published online Journal of Computer Chemistry, Japan Vol.17, 189-192, by J-STAGE]
<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
<Author(s):> 江口 晴輝, 平野 敏行, 佐藤 文俊
<Corresponding author E-Mill:> satofumi(at)iis.u-tokyo.ac.jp
<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.
<Keywords:> Keywords Molecular orbital, Protein, Scientific visualization, Rejection method, Cloud-like model
<URL:> https://www.jstage.jst.go.jp/article/jccj/17/5/17_2018-0062/_article/-char/ja/
