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) |