| 2007 |
| 5 | EE | Dmitry V. Khoroshun,
Djamaladdin G. Musaev,
Keiji Morokuma:
Electronic reorganization: Origin of sigma trans promotion effect.
Journal of Computational Chemistry 28(1): 423-441 (2007) |
| 2006 |
| 4 | EE | Rajeev Prabhakar,
Keiji Morokuma,
Djamaladdin G. Musaev:
A DFT study of the mechanism of Ni superoxide dismutase (NiSOD): Role of the active site cysteine-6 residue in the oxidative half-reaction.
Journal of Computational Chemistry 27(12): 1438-1445 (2006) |
| 2005 |
| 3 | EE | Rajeev Prabhakar,
Keiji Morokuma,
Djamaladdin G. Musaev:
A comparative study of various computational approaches in calculating the structure of pyridoxal 5r-phosphate (PLP)-dependent beta-lyase protein. The importance of protein environment.
Journal of Computational Chemistry 26(5): 443-446 (2005) |
| 2002 |
| 2 | EE | Maricel Torrent,
Djamaladdin G. Musaev,
Harold Basch,
Keiji Morokuma:
Computational studies of reaction mechanisms of methane monooxygenase and ribonucleotide reductase.
Journal of Computational Chemistry 23(1): 59-76 (2002) |
| 2001 |
| 1 | EE | Keiji Morokuma,
Djamaladdin G. Musaev,
Thom Vreven,
Harold Basch,
Maricel Torrent,
Dmitry V. Khoroshun:
Model studies of the structures, reacitivities, and reaction mechanisms of metalloenzymes.
IBM Journal of Research and Development 45(3): 367-396 (2001) |