| 1 |
Exploration of the Zinc Finger Motif in Controlling Activity of Matrix Metalloproteinases
Khrenova MG, Savitsky AP, Topol IA, Nemukhin AV
Journal of Physical Chemistry B, 118(47), 13505, 2014 |
| 2 |
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 |
| 3 |
Quantum chemical simulations of the proton transfer in water wires attached to molecular walls
Nemukhin AV, Grigorenko BL, Topol IA, Burt SK
Journal of Physical Chemistry B, 107(13), 2958, 2003 |
| 4 |
Theoretical studies on the hydrolysis of mono-phosphate and tri-phosphate in gas phase and aqueous solution
Wang YN, Topol IA, Collins JR, Burt SK
Journal of the American Chemical Society, 125(43), 13265, 2003 |
| 5 |
Modeling of biomolecular systems with the quantum mechanical and molecular mechanical method based on the effective fragment potential technique: Proposal of flexible fragments
Grigorenko BL, Nemukhin AV, Topol IA, Burt SK
Journal of Physical Chemistry A, 106(44), 10663, 2002 |
| 6 |
On the origin of potential barrier for the reaction OH-+CO2 -> HCO3- in water: Studies by using continuum and cluster solvation methods
Nemukhin AV, Topol IA, Grigorenko BL, Burt SK
Journal of Physical Chemistry B, 106(7), 1734, 2002 |
| 7 |
Charge distributions in water and ion-water clusters
Rashin AA, Topol IA, Tawa GJ, Burt SK
Chemical Physics Letters, 335(3-4), 327, 2001 |
| 8 |
Interactions of azodicarbonamide (ADA) species with the model zinc finger site: Theoretical support of the zinc finger domain destruction in the HIV-1 nucleocapsid protein (NCp7) by ADA
Topol IA, Nemukhin AV, Dobrogorskaya YI, Burt SK
Journal of Physical Chemistry B, 105(45), 11341, 2001 |
| 9 |
alpha- and 3(10)-helix interconversion: A quantum-chemical study on polyalanine systems in the gas phase and in aqueous solvent
Topol IA, Burt SK, Deretey E, Tang TH, Perczel A, Rashin A, Csizmadia IG
Journal of the American Chemical Society, 123(25), 6054, 2001 |
| 10 |
A new hybrid approach for modeling reactions in molecular clusters: Application for the hydrogen bonded systems
Nemukhin AV, Grigorenko BL, Skasyrskaya EY, Topol IA, Burt SK
Journal of Chemical Physics, 112(2), 513, 2000 |
