Full list of publications

“Biological and docking studies of topoisomerase IV inhibition by thiosemicarbazides” Agata Siwek, Paweł Stączek, Monika Wujec, Joanna Stefańska, Urszula Kosikowska, Anna Malm, Stefan Jankowki, Piotr Paneth, J. Mol. Model. 17, 2297-2303 (2011)

“Importance of the enzyme quaternary structure in theoretical calculations” Katarzyna Świderek and Piotr Paneth, J. Phys. Chem. B 114, 3393-3397 (2010)

“Tautomeric forms study of 1H-(2′-pyridyl)-3-methyl-5-hydroxypyrazole and 1H-(2′-pyridyl)-3-phenyl-5-hydroxypyrazole. Synthesis, structure, and cytotoxic activity of their complexes with palladium(II) ions” Michal Ciolkowski, Piotr Paneth, Ingo-Peter Lorenz, Peter Mayer, Marek Rozalski, Urszula Krajewska, Elzbieta Budzisz, J. Enz. Inhib. Med. Chem. 24, 1257-1268 (2009)

“Modeling of isotope effects on binding oxamate to lactic dehydrogenase” Katarzyna Świderek, Artur Panczakiewicz, Anna Bujacz, Grzegorz Bujacz, Piotr Paneth, J. Phys Chem. B 113, 12782-12789 (2009)

“DFT and ONIOM(DFT:MM) Studies on Co-C Bond Cleavage and Hydrogen Transfer in B12-Dependent Methylmalonyl-CoA Mutase. Stepwise or Concerted Mechanism?” Xin Li, Lung Wa Chung, Piotr Paneth and Keiji Morokuma, J. Am. Chem. Soc. 131, 5115-5125 (2009)

“Antimicrobial properties of 4-aryl-3-(2-methyl-furan-3-yl)-Δ2-1,2,4-triazoline-5-thiones” Agata Siwek, Monika Wujec, Joanna Stefańska, Piotr Paneth, Phosphorus, Sulfur and Silicon, 184, 3149-3159 (2009)

“Modeling excitation properties of iridium complexes” Katarzyna Świderek, Piotr Paneth, J. Phys. Org. Chem. 22,845-856 (2009)

“A DFT study of the kinetic isotope effects on the competing SN2 and E2 reactions between hypochlorite anion and ethyl chloride” Anna Pabis, Piotr Paluch, Joanna Szala and Piotr Paneth J. Chem. Theory Comput. 5, 33-36 (2009)

“An Altered Transition State for the Reaction of an RNA Model Catalyzed by a Dinuclear Zinc(II) Catalyst” Tim Humphry, Subashree Iyer, Olga Iranzo, Janet R. Morrow, John P. Richard, Piotr Paneth, and Alvan C. Hengge, J. Am. Chem. Soc. 130,  17858–17866 (2009)

“Mechanistic Analysis of the Base-Catalyzed HF Elimination from 4-Fluoro-4-(4'-nitrophenyl)butane-2-one Based on Liquid-Phase Kinetic Isotope Effects Calculated by Dynamics Modeling with Multidimensional Tunneling” Yongho Kim, Aleksandr V. Marenich, Jingjing Zheng, Kyung Hyun Kim, Magdalena Kołodziejska-Huben, Michał Rostkowski, Piotr Paneth, Donald G. Truhlar, J. Chem. Theory Comp. 5, 59-67 (2009)