| 1 |
Density Functional Theory Insights into the Role of the Methionine-Tyrosine-Tryptophan Adduct Radical in the KatG Catalase Reaction: O-2 Release from the Oxyheme Intermediate
Kruft BI, Magliozzo RS, Jarzecki AA
Journal of Physical Chemistry A, 119(26), 6850, 2015 |
| 2 |
Quantum-Mechanical Study of Lead Coordination in Sulfur-Rich Proteins: Mode and Structure Recognition in UV Resonance Raman Spectra
Jarzecki AA
Journal of Physical Chemistry A, 116(1), 571, 2012 |
| 3 |
Titanocene-Phosphine Derivatives as Precursors to Cytotoxic Heterometallic TiAu2 and TiM (M = Pd, Pt) Compounds. Studies of Their Interactions with DNA
Gonzalez-Pantoja JF, Stern M, Jarzecki AA, Royo E, Robles-Escajeda E, Varela-Ramirez A, Aguilera RJ, Contel M
Inorganic Chemistry, 50(21), 11099, 2011 |
| 4 |
Synthesis, Characterization, and in vitro Antimalarial and Antitumor Activity of New Ruthenium(II) Complexes of Chloroquine
Rajapakse CSK, Martinez A, Naoulou B, Jarzecki AA, Suarez L, Deregnaucourt C, Sinou V, Schrevel J, Musi E, Ambrosini G, Schwartz GK, Sanchez-Delgado RA
Inorganic Chemistry, 48(3), 1122, 2009 |
| 5 |
Quantum-Mechanical Calculations of Resonance Raman Intensities: The Weighted-Gradient Approximation
Jarzecki AA
Journal of Physical Chemistry A, 113(12), 2926, 2009 |
| 6 |
Theoretical Analysis of Core Size Effect in Metalloporphyrins
Kozlowski PM, Bingham JR, Jarzecki AA
Journal of Physical Chemistry A, 112(50), 12781, 2008 |
| 7 |
Lead-poisoned zinc fingers: Quantum mechanical exploration of structure, coordination, and electronic excitations
Jarzecki AA
Inorganic Chemistry, 46(18), 7509, 2007 |
| 8 |
DFT analysis of interligand vibrations in a hydroperoxo complex of cobalt bleomycin
Kozlowski PM, Nazarenko VV, Jarzecki AA
Inorganic Chemistry, 45(4), 1424, 2006 |
| 9 |
DFT analysis of Co-alkyl and Co-adenosyl vibrational modes in B-12-cofactors
Kozlowski PM, Andruniow T, Jarzecki AA, Zgierski MZ, Spiro TG
Inorganic Chemistry, 45(14), 5585, 2006 |
| 10 |
Modeling of ligation-induced helix/loop displacements in myoglobin: Toward an understanding of hemoglobin allostery
Guallar V, Jarzecki AA, Friesner RA, Spiro TG
Journal of the American Chemical Society, 128(16), 5427, 2006 |
