검색결과 : 4건
| No. | Article |
|---|---|
| 1 |
The fragment molecular orbital method for geometry optimizations of polypeptides and proteins Fedorov DG, Ishida T, Uebayasi M, Kitaura K Journal of Physical Chemistry A, 111(14), 2722, 2007 |
| 2 |
Fragment molecular orbital method: use of approximate electrostatic potential Nakano T, Kaminuma T, Sato T, Fukuzawa K, Akiyama Y, Uebayasi M, Kitaura K Chemical Physics Letters, 351(5-6), 475, 2002 |
| 3 |
Fragment molecular orbital method: analytical energy gradients Kitaura K, Sugiki SI, Nakano T, Komeiji Y, Uebayasi M Chemical Physics Letters, 336(1-2), 163, 2001 |
| 4 |
Fragment molecular orbital method: application to polypeptides Nakano T, Kaminuma T, Sato T, Akiyama Y, Uebayasi M, Kitaura K Chemical Physics Letters, 318(6), 614, 2000 |