| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5389250 | Chemical Physics Letters | 2007 | 5 Pages |
Abstract
An all-electron calculation on the non-symmetric insulin hexamer was successfully carried out using a precise initial guess of the combined quasi-canonical localized orbitals and the parallel density functional program employing the distributed matrices. The numbers of residues, atoms, and orbitals were 306, 4728, and 26Â 790, respectively.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Toru Inaba, Naoki Tsunekawa, Toshiyuki Hirano, Tamotsu Yoshihiro, Hiroshi Kashiwagi, Fumitoshi Sato,