| 1 |
Quantum chemical modeling of reaction mechanism for 2-oxoglutarate dependent enzymes: Effect of substitution of iron by nickel and cobalt
Topol IA, Nemukhin AV, Salnikow K, Cachau RE, Abashkin YG, Kasprzak KS, Burt SK
Journal of Physical Chemistry A, 110(12), 4223, 2006 |
| 2 |
(salen)Mn-III compounds as nonpeptidyl mimics of catalase. Mechanism-based tuning of catalase activity: A theoretical study
Abashkin YG, Burt SK
Inorganic Chemistry, 44(5), 1425, 2005 |
| 3 |
(Salen)Mn(III) compound as a nonpeptidyl mimic of catalase: DFT study of the metal oxidation by a peroxide molecule
Abashkin YG, Burt SK
Journal of Physical Chemistry B, 108(8), 2708, 2004 |
| 4 |
(Salen)Mn(III)-catalyzed epoxidation reaction as a multichannel process with different spin states. Electronic tuning of asymmetric catalysis: A theoretical study
Abashkin YG, Collins JR, Burt SK
Inorganic Chemistry, 40(16), 4040, 2001 |
| 5 |
Quantum chemical investigation of enzymatic activity in DNA polymerase beta. A mechanistic study
Abashkin YG, Erickson JW, Burt SK
Journal of Physical Chemistry B, 105(1), 287, 2001 |
| 6 |
Density functional study of the mechanisms and the potential energy surfaces of MCH2++H-2 reactions. The case of cobalt and rhodium (M = Co, Rh)
Abashkin YG, Burt SK, Russo N
Journal of Physical Chemistry A, 101(43), 8085, 1997 |
