Latest News

 Three new 2022-year publications were added in the recent publications section.

Research Interest

• Interactions of small molecules with proteins and nucleic acids investigated with molecular modeling tools.
• Tautomerism of nucleobases and their derivatives investigated with quantum chemistry methods.
• Development of so-called coarse-grained models of DNA. Coarse-grained models are mathematical models of large molecules in which group of atoms are replaced by special interaction centers. Reduction of number of interactions centers allows performing computer simulations of large molecules in a reasonable time. I'm co-author of three coarse-grained models of DNA - two relatively new (Dipolar Bead Model and NARES-2P) and one ancient (published in 2000). The picture shows Drew-Dickerson dodecamer ab-initio folded with DBM model overlapped with crystal structure. Details about "modern" models can be found in following publications:
• Maciejczyk, M., Spasic, A., Liwo, A. and Scheraga, H.A. Coarse-grained model of nucleic acid bases. J. Comp. Chem. (2010) 31(8): 1644-1655
• Maciejczyk, M., Spasic, A., Liwo, A., Scheraga, H.A. DNA duplex formation with a coarse-grained model. (2014) J. Chem. Theory Comput. 10:5020-5035
• He, Y., Maciejczyk, M., Ołdziej, S., Scheraga, H.A. and Liwo, A. Mean-Field Interactions between Nucleic-Acid-Base Dipoles can Drive the Formation of a Double Helix. Phys. Rev. Lett. (2013), 110: 098101

Recent publications

• Maciejczyk, M. Editorial: Coarse-Grained Models of Nucleic Acids and Their Applications. (2022) Frontiers in Molecular Biosciences. 9: 842049
• Tarapata, J.; Maciejczyk, M.; Żulewska, J. Microfiltration of buttermilk: Partitioning of proteins and modelling using a resistance-in-series model (2022) International Dairy Journal 134: 1-9
• Piotrowicz-Cieślak, A.I.; Maciejczyk, M.; Margas, M.; Rydzyński, D.; Grajek, H.; Michalczyk, D.J.; Wasilewski, J.; Smyk, B. Studies on the Efficiency of Iron Release from Fe(III)-EDTA and Fe(III)-Cit and the Suitability of These Compounds for Tetracycline Degradation. (2022) Molecules, 27: 8498

Other publications

• Maciejczyk, M., Rudnicki W.R. and Lesyng B. A Mezoscopic Model of Nucleic Acids. Part 2. An Effective Potential Energy Function for DNA. Journal of Biomolecular Structure and Dynamics (2000) 17(6): 1109-1115
• Bal, W., Wojcik, J., Maciejczyk, M., Grochowski, P. and Kasprzak, K. S. Induction of a Secondary Structure in the N-Terminal Pentadecapeptide of Human Protamine HP2 through Ni(II) Coordination. An NMR Study; Chem. Res. Toxicol.(2000) 13(9): 823-830
• Bal, W., Krężel, A., Wójcik, J., Maciejczyk, M. Zinc complex with glutathione family; J. Inorg. Biochem. (2001) 86(1): 135-135
• Krężel, A., Wójcik, J., Maciejczyk, M. and Bal, W., May GSH and L-His contribute to intracellular binding of zinc? Thermodynamic and solution structural study of a ternary complex.Chem. Commun. (2003)  (6): 704-705
• Goch, G., Maciejczyk, M., Oleszczuk, M., Stachowiak, D., Malicka, J. and Bierzyński, A. Experimental Investigation of Initial Steps of Helix Propagation in Model Peptides. Biochemistry (2003) 42: 6840-6847
• Trzepałka, E., Oleszczuk, M., Maciejczyk, M. and Lammek, B. Solution structure of conformationally restricted vasopressin analogues. Acta Biochimica Polonica (2004) 51(1): 33-49
• Maciejczyk, M., Bierzyński, A. and Hermans, J. Free energy of helix propagation in short polyalanine chains determined from peptide growth simulations of La3+-binding model peptides. Comparison with experimental data. Acta Biochimica Polonica (2006) 53(1): 121-129
• Krężel, A., Wójcik, J., Maciejczyk, M. and Bal, W. Zn(II) Complexes of Glutathione Disulfide. Structural Bases for Elevated Stabilities. Inorg. Chem. (2011) 50: 72-85
• Ruszczyńska-Bartnik, K., Maciejczyk, M., and Stolarski, R. Dynamical insight into Caenorhabditis Elegans eIF4E recognition specificity for mono- and trimethylated structures of mRNA 5’ cap. J. Mol. Model. (2011), 17(4): 727-737

• Pietrzak, M., Maciejczyk, M., Szabelski, M., Kasparek, A. and Wieczorek, Z. Self-association of hypericin analyzed by light absorption and fluorescence spectroscopy and molecular dynamics simulations. Chem. Phys. Lett. (2014) 601:39-44

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  Liwo, A., Baranowski, M., Czaplewski, C., Gołaś, E., He, Y., Jagieła, D., Krupa, P.,Maciejczyk, M., Makowski, M., Mozolewska, M., Niadzvedtski, A.,Ołdziej, S., Scheraga, H.A., Sieradzan, A.K., Ślusarz, A., Wirecki, T., Yin, Y., Zaborowski, B. A Unified Coarse-Grained Model of Biological Macromolecules Based on Mean-Field Multipole-Multipole Interactions. J. Mol. Model. (2014) 20:2306

• Kowalska, J., Wypijewska del Nogal, A., Darzynkiewicz, Z.M., Buck, J., Nicola, C., Kuhn, A.N., Lukaszewicz, M., Zuberek, J., Strenkowska, M., Ziemniak, M., Maciejczyk, M., Bojarksa, E., Rhoads, R.E., Darzynkiewicz, E., Sahin, U., Jemielity, J. Synthesis, properties, and biological activity of boranophosphate analogs of the mRNA cap: versatile tools for manipulation of therapeutically relevant cap-dependent processes. Nucl. Acids Res. (2014) 42:10245-10264

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  Pyrka, M., Maciejczyk, M. Theoretical study of tautomeric equilibria of 2,6-diamino-8-azapurine and 8-aza-iso-guanine. (2015) Chem. Phys. Lett. 627:30-35

• Lasota, A., Fraczak, O., Muchowska, A., Nowakowski, M., Maciejczyk, M., Ejchart, A., Olma, A. Syntesis, Biological Activity, and NMR-Based Structural Studies of Deltorphin I Analogs Modified in Message Domain with a New alpha, alpha-Disubstituted Glycines (2016) Chem. Biol. & Drug. Design 87:824-832

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  Dawson, W.K., Maciejczyk, M., Jankowska, E.J., Bujnicki, J.M. Coarse-grained modeling of RNA 3D structure. (2016) Methods 103:138-156

• Pyrka, M., Maciejczyk, M. Theoretical Investigations of Tautomeric Equilibrium of 9-met-7-aza-iso-Guanine and Its Electrostatic Properties. (2016) Comp. Theor. Chem. 1091:1-7

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  Maciejczyk, M.; Lasota, A.; Frączak, O.; Kosson, P.; Misicka, A; Nowakowski, M.; Ejchart, A.; Olma, A. The impact of β-azido(or 1-piperidinyl)methylamino acids in position 2 or 3 on biological activity and conformation of dermorphin analogues. (2016) J. Pep. Sci.  22:545-551

• Smyk, B.; Mędza, G.; Kasparek, A.; Pyrka, M.; Gryczyński, I; Maciejczyk, M. Spectroscopic Properties and Conformational Analysis of Methyl Ester of Sinapic Acid in Various Environments. (2017) J. Phys. Chem. B  121:7299-7310

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  Padjasek, M.; Maciejczyk, M.; Nowakowski, M.; Kerber, O.; Pyrka, M.; Koźmiński, W.; Krężel, A. Metal Exchange in the Interprotein Zn(II)‐Binding Site of the Rad50 Hook Domain: Structural Insights into Cd(II)‐Induced DNA‐Repair Inhibition. Chem. Eur. J. (2020) 26: 3297-3313
• Tarapata, J.; Smoczyński, M.; Maciejczyk, M.; Zulewska, J. Effect of calcium chloride addition on properties of acid-rennet gels. (2020) Int. Dairy J., 106: 1-10
• Grajek, H.; Rydzyński, D.; Piotrowicz-Cieślak, A.I.; Herman, A.; Maciejczyk, M.; Wieczorek, Z. Cadmium ion-chlorophyll interaction - examination of spectral properties and structure of the cadmium-chlorophyll complex and their relevance to photosynthesis inhibition. (2020) Chemosphere, 261: 1-10
• Pyrka, M.; Maciejczyk, M. Why Purine Nucleoside Phosphorylase Ribosylates 2,6-Diamino-8-azapurine in Noncanonical Positions? A Molecular Modeling Study. J. Chem. Inf. Model. (2020) 60(3): 1595-1606