Chemical and Biological Systems Simulation Laboratory

Publications

134. M. Cybulski, M. Zaremba-Czogalla, B. Trzaskowski, M. Kubiszewski, J. Tobiasz, A. Jaromin, P. Krzeczyński, J. Gubernator, O. Michalak, "The conjugates of 5’-deoxy-5-fluorocytidine and hydroxycinnamic acids - synthesis, anti-pancreatic cancer activity and molecular docking studies", RSC Adv., 14, 13129-13141 (2024). doi: 10.1039/D4RA01683A

133. B. Trzaskowski, J.P. Martinez, A. Sarwa, B. Szyszko, W.A. Goddard, "Argentophilic interactions, flexibility and dynamics of pyrrole cages encapsulating silver(I) clusters", J. Phys. Chem. A., 128, 3339–3350 (2024). doi: 10.1021/acs.jpca.4c01464

132. M. Zier, S. Planer, I. Czeluśniak, A. Marczyk, K. Młodzikowska-Pieńko, B. Trzaskowski, D. Bockfeld, M. Tamm, A. Kajetanowicz, "Ruthenium Complexes with Tridentate Anionic Bisfluoroalkoxy Carbene Ligand—Valuable Latent Olefin Metathesis Catalysts for Polymerisation Reactions", Eur. J. Inorg. Chem., 27, e202300783 (2024). doi: 10.1002/ejic.202300783

131. M. Cybulski, K. Sidoryk, M. Zaremba-Czogalla, B. Trzaskowski, M. Kubiszewski, J. Tobiasz, A. Jaromin, O. Michalak, "The conjugates of indolo[2,3-b]quinoline as anti-pancreatic cancer agents: design, synthesis, molecular docking and biological evaluations", Int. J. Mol. Sci., 25, 2574 (2024). doi: 10.3390/ijms25052573

130. N.U. Din Reshi, D. Bockfeld, D. Baabe, L. Denker, J.P. Martinez, B. Trzaskowski, R. Frank, M. Tamm, "Iron(I) and Iron(II) Amido-imidazolin-2-imine Complexes as Catalysts for H/D Exchange in Hydrosilanes", ACS Catal., 17, 1759–1772 (2024). doi: 10.1021/acscatal.3c05355

129. K.M. Bąk, B. Trzaskowski, M. Chmielewski, "Anion-templated synthesis of a switchable fluorescent [2]catenane with sulfate sensing capability", Chem. Sci., 15, 1796-1809 (2024). doi: 10.1039/D3SC05086F

128. A Serwa, A. Białońska, M. Sobieraj, J.P. Martinez, B. Trzaskowski, B. Szyszko, "Iminopyrrole-based Self-Assembly: A Route to Intrinsically Flexible Molecular Links and Knots", Angew. Chem. Int. Ed., 63, e202316489 (2024). doi: 10.1002/anie.202316489

127. R. Gawin, A. Tracz, P. Krajczy, A. Kozakiewicz-Piekarz, J.P. Martinez, B. Trzaskowski, "Inhibition of the Decomposition Pathways of Ruthenium Olefin Metathesis Catalysts: Development of the Highly Efficient Catalysts for Ethenolysis", J. Am. Chem. Soc., 145, 25010-25021 (2023). doi: 10.1021/jacs.3c10635

126. J.P. Martinez, B. Trzaskowski, "An anthracene-thiolate-ligated ruthenium complex: computational insights into Z-stereoselective cross metathesis", J. Phys. Chem. A, 127, 9465-9472 (2023). doi: 10.1021/acs.jpca.3c05021

125. H. Dolati, L. Denker, J.P. Martinez, B. Trzaskowski, R. Frank, "Iminoboranes With Parent B=NH Entity: Imino Group Metathesis, Nucleophilic Reactivity and N−N Coupling", Chem. - Eur. J., 29, e202302494 (2023). doi: 10.1002/chem.202302494

124. A. Koterwa, M. Pierpaoli, B. Nejman-Faleńczyk, S. Bloch, A. Zieliński, W. Adamus-Białek, Z. Jeleniewska, B. Trzaskowski, R. Bogdanowicz, G. Węgrzyn, P. Niedziałkowski, J. Ryl, "Discriminating Macromolecular Interactions Based on an Impedimetric Fingerprint Supported by Multivariate Data Analysis for Rapid and Label-free Escherichia coli Recognition in Human Urine", Biosens. Bioelectron., 115561 (2023). doi: 10.1016/j.bios.2023.115561

123. K. Gajda, A. Sytniczuk, L. Vendler, B. Trzaskowski, N. Lugan, A. Kajetanowicz, S. Bastin, K. Grela, V. Cesar, "Towards (C,C)-cyclometalated N-(9-alkylfluorenyl)NHC ruthenium complexes for Z-selective olefin metathesis", Eur. J. Inorg. Chem., 26, e202300169 (2023). doi: 10.1002/ejic.202300169

122. O. Michalak, M. Cybulski, W. Szymanowski, A. Gornowicz, M. Kubiszewski, K. Ostrowska, P. Krzeczyński, K. Bielawski, B. Trzaskowski, A. Bielawska, "Synthesis, biological activity, ADME and molecular docking studies of novel ursolic acid derivatives as potent anticancer agents", Int. J. Mol. Sci., 24, 8875 (2023). doi: 10.3390/ijms24108875

121. A. Marczyk, B. Trzaskowski, "Ruthenium metathesis catalysts bearing anionic N-heterocyclic carbenes; a computational study on failed approaches to their synthesis", Organometallics, 42, 689–695 (2023). doi: 10.1021/acs.organomet.3c00068

120. P. Krzeczyński, M. Dutkiewicz, O. Zegrocka-Stendel, B. Trzaskowski, K. Koziak, "New, Low–Molecular Weight Chemical Compounds Inhibiting Biological Activity of Interleukin 15", Molecules, 28, 2287 (2023). doi: 10.3390/molecules28052287

119. K. Ostrowska, A. Leśniak, W. Gorczyca, Ł. Dobrzycki, M. Bujalska-Zadrożny, B. Trzaskowski, "New piperazine derivatives of 6-acetyl-7-hydroxy-4-methylcoumarin as 5-HT1A receptor agents", Int. J. Mol. Sci., 24, 2779 (2023). doi: 10.3390/ijms24032779

118. L. Denker, D. Wullschlager, J.P. Martinez, S. Świerczewski, B. Trzaskowski, M. Tamm, R. Frank, "Cobalt(I) Catalyzed Transformation of Si−H Bonds: H/D Exchange in Hydrosilanes and Hydrosilylation of Olefins", ACS Catal., 13, 2586-2600 (2023). doi: 10.1021/acscatal.2c06259

117. M. Jawiczuk, N. Kuźmierkiewicz, A.M. Nowacka, M. Moreń, B. Trzaskowski, "A mechanistic, computational study of alkene-diazene heterofunctional cross metathesis catalyzed by ruthenium complexes", Organometallics, 42, 146-156 (2023). doi: 10.1021/acs.organomet.2c00516

116. K. Młodzikowska-Pieńko, B. Trzaskowski, "Decomposition of ruthenium metathesis catalysts: unsymmetrical N-heterocyclic carbenes (uNHCs) versus cyclic alkyl amino carbenes (CAACs)", Organometallics, 41, 3627–3635 (2022). doi: 10.1021/acs.organomet.2c00432

115. J.P. Martinez, B. Trzaskowski, "On the Stereoselectivity of the Cross Metathesis of Olefins Catalyzed by a Second-Generation Catalyst", Cat. Commun., 172, 106552 (2022). doi: 10.1016/j.catcom.2022.106552

114. A. Marczyk, N. Mukherjee, B. Trzaskowski, "Predicting initiation rates of Hoveyda-Grubbs complexes containing an electron-withdrawing group in four possible positions of the benzylidene ring", J. Organomet. Chem., 980-981, 122508 (2022). doi: 10.1016/j.jorganchem.2022.122508

113. J.P. Martinez, B. Trzaskowski, "Electrophilicity of Hoveyda-Grubbs Olefin Metathesis Catalysts as the Driving Force that Controls Initiation Rates", ChemPhysChem, 23, e202200580 (2022). doi: 10.1002/cphc.202200580

112. Z. Guven, L. Denker, D. Wullschlager, J.P. Martinez, B. Trzaskowski, R. Frank, "Reductive Al−B sigma-Bond Formation in Alumaboranes: Facile Scission of Polar Multiple Bonds", Angew. Chem. Int. Ed., 61, e202209502 (2022). doi: 10.1002/anie.202209502

111. M. Brodowski, M. Pierpaoli, M. Janik, M. Kowalski, M. Ficek, P. Ślepski, B. Trzaskowski, G. Swain, J. Ryl, R. Bogdanowicz, "Enhanced susceptibility of SARS-CoV-2 spike RBD protein assay targeted by cellular receptors ACE2 and CD147: multivariate data analysis of multisine impedimetric response", Sens. Actuators B: Chem., 370, 132427 (2022). doi: 10.1016/j.snb.2022.132427

110. M. Jacquet, S. Osella, E. Harputlu, B. Pałys, M. Kaczmarek, E.K. Nawrocka, A. Rajkiewicz, M. Kałek, P. Michałowski, B. Trzaskowski, G. Unlu, W. Lisowski, M. Pisarek, K. Kazimierczuk, K. Ocakoglu, A. Więckowska, J. Kargul, "Diazonium-based covalent molecular wiring of single-layer graphene leads to enhanced unidirectional photocurrent generation through p-doping effect", Chem. Mater., 34, 3744–3758 (2022). doi: 10.1021/acs.chemmater.2c00088

109. W. Kośnik, D. Lichosyt, M. Śnieżek, A. Janaszkiewicz, K. Woźniak, M. Malińska, B. Trzaskowski, A. Kajetanowicz, K. Grela, "Ruthenium Olefin Metathesis Catalysts Bearing Macrocyclic N-Heterocyclic Carbene Ligand: Improved Stability and Activity", Angew. Chem. Int. Ed., 61, e202201472 (2022). doi: 10.1002/anie.202201472

108. Z. Guven, L. Denker, H. Dolati, D. Wullschlager, B. Trzaskowski, R. Frank, "Reactions of a Four-Membered Borete with Carbon, Silicon, and Gallium Donor Ligands: Fused and Spiro-Type Boracycles", Chem. Eur. J., 28, e202200673 (2022). doi: 10.1002/chem.202200673

107. W Białobrzeska, M. Ficek, B. Dec, S. Osella, B. Trzaskowski, A. Jaramillo-Botero, M. Pierpaoli, M. Rycewicz, Y. Dashkevich, T. Łęga, N. Malinowska, Z. Cebula, D. Bigus, D. Firganek, E. Bięga, K. Dziąbowska, M. Brodowski, M. Kowalski, M. Panasiuk, B. Gromadzka, S. Żołędowska, D. Nidzworski, K. Pyrć, W.A. Goddard III, R. Bogdanowicz, "Performance of electrochemical immunoassays for clinical diagnostics of SARS-CoV-2 based on selective nucleocapsid N protein detection: boron-doped diamond, gold and glassy carbon evaluation", Biosens. Bioelectron., 209, 114222 (2022). doi: 10.1016/j.bios.2022.114222

106. J.P. Martinez, B. Trzaskowski, "Olefin metathesis catalyzed by a Hoveyda-Grubbs-like complex chelated to bis(2-mercaptoimidazolyl) methane: a predictive DFT study", J. Phys. Chem. A, 126, 720-732 (2022). doi: 10.1021/acs.jpca.1c09336

105. J.P. Martinez, B. Trzaskowski, "Structural and Electronic Properties of Boranes Containing Boron-Chalcogen Multiple Bonds and Stabilized by Amido Imidazoline-2-imine Ligands", Chem. Eur. J., 28, e202103997 (2022). doi: 10.1002/chem.202103997

104. M. Kaźmierczak, B. Trzaskowski, S. Osella, "The interplay of conjugation and metal coordination in tuning the electron transfer abilities of NTA-graphene based interfaces", Int. J. Mol. Sci., 23, 543 (2022). doi: 10.3390/ijms23010543

103. M. Jacquet, M. Kiliszek, S. Osella, M. Izzo, J. Sar, E. Harputlu, C.G. Unlu, B. Trzaskowski, K. Ocakoglu, J. Kargul, "Molecular mechanism of direct electron transfer in the robust cytochrome-functionalised graphene nanosystem", RSC Adv., 11, 18860-18869 (2021). doi: 10.1039/D1RA02419A

102. M. Jacquet, M. Izzo, S. Osella, S. Kozdra, P. Michałowski, D. Gołowicz, K. Kazimierczuk, M.T. Gorzkowski, A. Lewera, M. Teodorczyk, B. Trzaskowski, R. Jurczakowski, D. Gryko, J. Kargul, "Development of a universal conductive platform for anchoring photo- and electroactive proteins using organometallic terpyridine molecular wires", Nanoscale, 13, 9773-9787 (2021). doi: 10.1039/D0NR08870F

101. M. Izzo, M. Jacquet, S. Osella, M. Kiliszek, E. Harputlu, A. Starkowska, A. Łasica, G. Unlu, T. Uspienski, P. Niewiadomski, D. Bartosik, B. Trzaskowski, K. Ocakoglu, J. Kargul, "Enhancement of Direct Electron Transfer in Graphene Bioelectrodes Containing Novel Cytochrome c553 Variants with Optimized Heme Orientation", Bioelectrochemistry, 140, 107818 (2021). doi: 10.1016/j.bioelechem.2021.107818

100. K. Ostrowska, A. Leśniak, Z. Czarnocka, J. Chmiel, M. Bujalska-Zadrożny, B. Trzaskowski, "Design, Synthesis and Biological Evaluation of a Series of 5- and 7-hydroxycoumarin Derivatives as 5-HT1A Serotonin Receptor Antagonists", Pharmaceuticals, 14, 179 (2021). doi: 10.3390/ph14030179

99. L. Denker, B. Trzaskowski, R. Frank, "“Give Me Five” - An Amino Im-idazoline-2-imine Ligand Stabilises First Neutral Five-membered Cyclic Triel(I) Carbenoides", ChemComm., 57, 2816-2819 (2021). doi: 10.1039/D1CC00010A

98. H. Dolati, L. Denker, B. Trzaskowski, R. Frank, "Superseding β-Diketiminato Ligands: An Amido Imidazoline-2-Imine Ligand Stabilizes the Exhaustive Series of B=X Boranes (X = O, S, Se, Te)", Angew. Chem. Int. Ed., 60, 4633-4639 (2021). doi: 10.1002/anie.202015553

97. K. Kaczanowska. B. Trzaskowski, A. Peszczyńska, A. Tracz, T.K. Olszewski, K. Skowerski, "Cross metathesis with acrylates: N-heterocyclic carbene (NHC)- versus cyclic alkyl amino carbene (CAAC)-based ruthenium catalysts, an unanticipated influence of the carbene type on efficiency and selectivity of the reaction", ChemCatChem, 12, 6366-6374 (2020). doi: 10.1002/cctc.202001268

96. S. Planer, A. Małecki, B. Trzaskowski, A. Kajetanowicz, K. Grela, "Sterically tuned N-heterocyclic carbene ligands for the efficient formation of hindered products in Ru-catalyzed olefin metathesis", ACS Catalysis, 10, 11394-11404 (2020). doi: 10.1021/acscatal.0c02770

95. M. Jawiczuk, A. Marczyk, B. Trzaskowski, "Decomposition of ruthenium olefin metathesis catalyst; a review", Catalysts, 10, 887 (2020). doi: 10.3390/catal10080887

94. M. Jawiczuk, A. Marczyk, K. Młodzikowska-Pieńko, B. Trzaskowski, "Impact of the Carbene Derivative Charge on the Decomposition Rates of Hoveyda-Grubbs-Like Metathesis Catalysts", J. Phys. Chem. A, 124, 6158-6167 (2020). doi: 10.1021/acs.jpca.0c03096

93. M. Jawiczuk, K. Młodzikowska-Pieńko, B. Trzaskowski, "Impact of the olefin structure on the catalytic cycle and decomposition rates of Hoveyda-Grubbs metathesis catalyst", Phys. Chem. Chem. Phys., 22, 13062-13069 (2020). doi: 10.1039/D0CP01798A

92. K. Ostrowska, A. Leśniak, U. Karczyńska, P. Jeleniewicz, M. Głuch-Lutwin, B. Mordyl, A. Siwek, B. Trzaskowski, B. Sacharczuk, M. Bujalska-Zadrozny, "6-Acetyl-5-hydroxy-4,7-dimethylcoumarin derivatives: Design, synthesis, modeling studies, 5-HT1A, 5-HT2A and D2 receptors affinity", Bioorg. Chem., 100, 103912 (2020). doi: 10.1016/j.bioorg.2020.103912

91. K. Młodzikowska-Pieńko, B. Trzaskowski, "Rate-Limiting Steps in the Intramolecular C-H Activation of Ruthenium N-Heterocyclic Carbene Complexes", J. Phys. Chem. A, 124, 3609-3617 (2020). doi: 10.1021/acs.jpca.0c01354

90. B. Żyżyńska-Granica, B. Trzaskowski, M. Dutkiewicz, O. Zegrocka-Stendel, M. Machcińska, K. Bocian, M. Kowalewska, K. Koziak, "The anti-inflammatory potential of cefazolin as common gamma chain cytokine inhibitor", Sci. Rep., 10, 2886, (2020). doi: 10.1038/s41598-020-59798-3

89. O. Michalak, P. Krzeczyński, M. Cieślak, P. Ćmoch, M. Cybulski, K. Królewska-Golińska, J. Kaźmierczak-Barańska, B. Trzaskowski, K. Ostrowska, "Synthesis, anti–tumour and immunomodulating activities of diosgenin and tigogenin conjugates", J. Steroid Biochem. Mol. Biol., 198, 105573 (2020). doi: 10.1016/j.jsbmb.2019.105573

88. M. Jawiczuk, K. Młodzikowska-Pieńko, S. Osella, B. Trzaskowski, "Molecular modelling of mechanisms of decomposition of ruthenium metathesis catalysts by acrylonitrile", Organometallics, 39, 239-246 (2020). doi: 10.1021/acs.organomet.9b00372

87. S. Bucciarelli, E.S. Sayedi, S. Osella, B. Trzaskowski, K.J. Vissing, B. Vestergaard, V. Fodera, "Disentangling the role of solvent polarity and protein solvation in folding and self-assembly of alpha-lactalbumin", J. Colloid Interface Sci., 561, 749-761 (2020). doi: 10.1016/j.jcis.2019.11.051

86. S. Osella, M. Kiliszek, E. Harputlu, C.G. Unlu, K. Ocakoglu, B. Trzaskowski, J. Kargul, "Role of Metal Centers in Tuning the Electronic Properties of Graphene-Based Conductive Interfaces", J. Phys. Chem. C, 123, 8623-8632 (2019). doi: 10.1021/acs.jpcc.9b00170

85. A. Rajkiewicz, K. Skowerski, B. Trzaskowski, A. Kajetanowicz, K. Grela, "2-Methyltetrahydrofurane as a solvent of choice for spontaneous metathesis/isomerization sequence", ACS Omega, 4, 1831-1837 (2019). doi: 10.1021/acsomega.8b03027

84. M. Smoleń, A. Marczyk, W. Kośnik, B. Trzaskowski, A. Kajetanowicz, K. Grela, "Ruthenium-Catalysed Olefin Metathesis in Environmentally Friendly Solvents: 2-Methyltetrahydrofuran Case Revisited", Eur. J. Org. Chem., 2019, 640-646 (2019). doi: 10.1002/ejoc.201801741

83. P. Małecki, K. Gajda, R. Gajda, K. Woźniak, B. Trzaskowski, A. Kajetanowicz, K. Grela, "Specialized Ruthenium Olefin Metathesis Catalysts Bearing Bulky Unsymmetrical NHC Ligands: Computations, Synthesis and Application", ACS Catalysis, 9, 587-598 (2019). doi: 10.1021/acscatal.8b04783

82. A. Kowalska, B. Trzaskowski, S. Osella, "Assessing the Charge Transfer at the Cytochrome c553/Graphene Interface: A Multiscale Investigation", J. Phys. Chem. C, 122, 29405-29413 (2018). doi: 10.1021/acs.jpcc.8b10517

81. R. Zaremba, M. Dranka, B. Trzaskowski, L. Chęcińska, P. Horeglad, "Probing M-CNHC bond and its effect on the synthesis, structure and reactivity of R2MOR(NHC) (M = Al, Ga, In) complexes", Organometallics, 37, 4585-4598 (2018). doi: 10.1021/acs.organomet.8b00570

80. M. Jawiczuk, A. Janaszkiewicz, B. Trzaskowski, "The influence of the cationic carbenes on the initiation kinetics of ruthenium-based metathesis catalysts; a DFT study", Beilstein J. Org. Chem., 14, 2872-2880 (2018). doi: 10.3762/bjoc.14.266

79. A. Zieliński, G. Szczepaniak, R. Gajda, K. Woźniak, B. Trzaskowski, D. Vidovic, A. Kajetanowicz, K. Grela, "Ruthenium Olefin Metathesis Catalysts Systematically Modified in Chelating Benzylidene Ether Fragment: Experiment and Computations", Eur. J. Inorg. Chem., 2018, 3675-3685 (2018). doi: 10.1002/ejic.201800639

78. S. Osella, M. Kiliszek, E. Harputlu, C.G. Unlu, K. Ocakoglu, J. Kargul, B. Trzaskowski, "Controlling the Charge Transfer Flow at the Graphene/Pyrene-Nitrilotriacetic Acid Interface", J. Mater. Chem. C, 6, 5046-5054 (2018). doi: 10.1039/C8TC00564H

77. K. Młodzikowska, A. Rajkiewicz, K. Grela, B. Trzaskowski, "Boron-boron, carbon-carbon and nitrogen-nitrogen bonding in N-heterocyclic carbenes and their diazaboryl and triazole analogues; Wanzlick equilibria revisited", New. J. Chem., 42, 6183-6190 (2018). doi: 10.1039/C8NJ00296G

76. P.I. Jolly, A. Marczyk, P. Małecki, O. Ablialimov, D. Trzybiński, K. Woźniak, S. Osella, B. Trzaskowski, K. Grela, "Azoliniums, Adducts, NHCs and Azomethine Ylides: Divergence in Wanzlick Equilibrium and Olefin Metathesis Catalyst Formation", Chem. Eur. J., 24, 4785-4789 (2018). doi: 10.1002/chem.201706036

75. K. Sidoryk, P. Cmoch, M. Świtalska, B. Trzaskowski, J. Wietrzyk, M. Cybulski, "Efficient glycosylation of natural Danshensu and its enantiomer by sugar and 2-deoxy sugar donors", Carbohydr. Res., 460, 19-28 (2018). doi: 10.1016/j.carres.2018.02.005

74. K. Ostrowska, D. Grzeszczuk, M. Głuch-Lutwin, A. Gryboś, A. Siwek, A. Leśniak, M. Sacharczuk, B. Trzaskowski, "5-HT1A and 5-HT2A receptors affinity, docking studies and pharmacological evaluation of a series of 8-acetyl-7-hydroxy-4-methylcoumarin", Bioorg. Med. Chem., 26, 527-535 (2018). doi: 10.1016/j.bmc.2017.12.016

73. K. Grudzień, B. Trzaskowski, M. Smoleń, R. Gajda, K. Woźniak, K. Grela, "Hoveyda-Grubbs catalyst analogues bearing derivatives of N-phenylpyrrol in carbene ligand - structure, stability, activity and unique ruthenium-phenyl interactions", Dalton Trans., 46, 11790-11799 (2017). doi:10.1039/C7DT02180A

72. R. Gawin, A. Tracz, M Chwalba, A. Kozakiewicz, B. Trzaskowski, K. Skowerski, "Cyclic Alkyl Amino Carbene Ruthenium Complexes – Unprecedented Efficiency in Macrocyclization and Acrylonitrile Cross Metathesis", ACS Catal., 7, 5443-5449 (2017). doi:10.1021/acscatal.7b00597

71. K. Ostrowska, D. Grzeszczuk, M. Głuch-Lutwin, A. Gryboś, A. Siwek, Ł. Dobrzycki, B. Trzaskowski, "Development of selective agents targeting serotonin 5HT1A receptor with subnanomolar activities based on a coumarin core", MedChemComm, 8, 1690-1696 (2017). doi:10.1039/C7MD00281E

70. B. Żyżyńska-Granica, B. Trzaskowski, S. Niewieczerzal, S. Filipek, O. Zegrocka-Stendel, M. Dutkiewicz, P. Krzeczyński, M. Kowalewska, K. Koziak, "Pharmacophore guided discovery of small-molecule interleukin 15 inhibitors", Eur. J. Med. Chem., 136, 543-547 (2017). doi:10.1016/j.ejmech.2017.05.034

69. B. Trzaskowski, W.A. Goddard, K. Grela, "Faster initiating olefin metathesis catalysts from introducing double bonds into cyclopropyl, cyclobutyl and cyclopentyl derivatives of Hoveyda-Grubbs precatalysts", Mol. Catal., 433, 313-320 (2017). doi:10.1016/j.mcat.2016.12.018

68. B. Trzaskowski, K. Ostrowska, "A computational study of structures and catalytic activities of Hoveyda-Grubbs analogues bearing coumarin or isopropoxycoumarin moiety", Catal. Commun., 91, 43-47 (2016). doi:10.1016/j.catcom.2016.12.014

67. B. Trzaskowski, K. Grela, "Hoveyda-Grubbs complexes with boryl anions are predicted to be fast metathesis catalysts", Catal. Commun., 86, 133-138 (2016). doi:10.1016/j.catcom.2016.08.025

66. B. Trzaskowski, K. Ostrowska, "Structural analogues of Hoveyda-Grubbs catalysts bearing 1-benzofuran moiety and isopropoxy-1-benzofuran derivatives as olefin metathesis catalysts", RSC Adv., 6, 21423-21429 (2016). doi:10.1039/C6RA01194B

65. A. Pazio, K. Woźniak, K. Grela, B. Trzaskowski, "Nitrenium ions and trivalent boron ligands as analogues of N-heterocyclic carbenes in olefin metathesis; a computational study", Dalton Trans., 44, 20021-20026 (2015). doi:10.1039/C5DT03446A

64. P. Horeglad, M. Cybularczyk, B. Trzaskowski, G.Z. Żukowska, M. Dranka, J. Zachara, "Dialkylgallium Alkoxides Stabilized with N-Heterocyclic Carbenes: Opportunities and Limitations for the Controlled and Stereoselective Polymerization of rac-Lactide", Organometallics, 34, 3480-3496 (2015). doi:10.1021/acs.organomet.5b00071

63. U. Ghoshdastider, R. Wu, B. Trzaskowski, K. Młynarczyk, P. Miszta, M. Gurusaran, S. Viswanathan, V. Renugopalakrishnan, S. Filipek, "Molecular Effects of Encapsulation of Glucose Oxidase Dimer by Graphene", RSC Advances, 5, 13570-13578 (2015). doi:10.1039/C4RA16852F

62. A. Pazio, K. Woźniak, K. Grela, B. Trzaskowski, "Conformational flexibility of Hoveyda-type and Grubbs-type com-plexes bearing acyclic carbenes and its impact on their catalytic properties", Organometallics, 34, 563-570 (2015). doi:10.1021/om5006462

61. R. Abrol, B. Trzaskowski, W.A. Goddard, A. Nesterov, I. Olave, C. Irons, "Ligand and mutation induced conformational selection in the CCR5 Chemokine G protein-coupled receptor", Proc. Natl. Acad. Sci. USA, 111, 13040-13045 (2014). doi:10.1073/pnas.1413216111

60. S.-K. Kim, W.A. Goddard, K.Y. Yi, B.H. Lee, C.J. Lim, B. Trzaskowski, "Predicted Ligands for the Human Urotensin-II G Protein-Coupled Receptor with Some Experimental Validation", ChemMedChem, 9, 1732-1743 (2014). doi:10.1002/cmdc.201402087

59. I. Kufareva, V. Katritch, B. Trzaskowski and other GPCR Dock 2013 participants, R.C. Stevens, R. Abagyan, "Advances in GPCR Modeling Evaluated by the GPCR Dock 2013 Assessment: Meeting New Challenges", Structure, 22, 1120-1139, 2014. doi:10.1016/j.str.2014.06.012

58. B. Trzaskowski, L. Adamowicz, W. Beck, K. Muralidharan, P.A. Deymier, "Exploring structures and properties of new geodesic polyarenes", Chem. Phys. Lett., 595-596, 6-12 (2014). doi:10.1016/j.cplett.2014.01.039

57. J. Bray, R. Abrol, W.A. Goddard, B. Trzaskowski, C. Scott, "The SuperBiHelix Method for Predicting the Pleiotropic Ensemble of G-Protein Coupled Receptor Conformations", Proc. Natl. Acad. Sci. USA, 111, E72-E78 (2014). doi:10.1073/pnas.1321233111

56. B. Żyżyńska-Granica, O. Zegrocka-Stendel, M. Dutkiewicz, S. Niewieczerzał, B. Trzaskowski, S. Filipek, P. Krzeczyński, M. Winiarska, K. Koziak, "Inhibition of the biological activity of interleukin-15 - new perspectives", Adv. Pol. Med. Pharm. Sci., 3, 45-55 (2013).

55. B. Trzaskowski, L. Adamowicz, W. Beck, K. Muralidharan, P.A. Deymier, "Impact of Local Curvature and Structural Defects on Graphene-C60 Fullerene Fusion Reaction Barriers", J. Phys. Chem. C, 117, 19664-19671 (2013). doi:10.1021/jp405301e

54. J. Romanski, B. Trzaskowski, P. Piatek, "Selective NaNO2 recognition by a simple heteroditopic salt receptor based on L-ornithine molecular scaffold", Dalton Trans., 42, 15271-15274 (2013). doi:10.1039/C3DT52311J

53. S. Yuan. R. Wu, D. Latek, B. Trzaskowski, S. Filipek, "Lipid receptor S1P1 activation scheme concluded from microsecond all-atom molecular dynamics simulations", PLOS Comp. Biol., 9, e1003261 (2013). doi:10.1371/journal.pcbi.1003261

52. B. Trzaskowski, K. Grela, "Structural and mechanistic basis of the fast metathesis initiation by six-coordinated ruthenium catalyst", Organometallics, 32, 3625-3630 (2013). doi:10.1021/om400233s

51. I. Bouabdallah, R. Touzani, I. Zidane, A. Ramdani, A.F. Jalbout, B. Trzaskowski, "New comparative theoretical calculations of some N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]phenylamines tripodal ligands", J. Mater. Environ. Sci., 4, 671-674 (2013). PDF

50. R. Berro, A. Yasmeen, R. Abrol, B. Trzaskowski, S. Abi-Habib, A. Grunbeck, D. Lascano, W.A. Goddard, P.J. Klasse, T.P. Sakmar, J.P. Moore, "Use of G-protein coupled and uncoupled CCR5 conformers by CCR5 inhibitor-resistant and -sensitive human immunodeficiency virus type 1 variants", J. Virol., 87, 6569-6581 (2013). doi:10.1128/JVI.00099-13

49. K. Żukowska, A. Szadkowska, B. Trzaskowski, A. Pazio, Ł. Pączek, K. Woźniak, K. Grela, "3-Bromopyridine As a Sixth Ligand in Sulfoxide-Based Hoveyda Complexes: A Study on Catalytic Properties", Organometallics, 32, 2192-2198 (2013). doi:10.1021/om400064c

48. R. Abrol, S.-K. Kim, J.K. Bray, B. Trzaskowski, W.A. Goddard, "Conformational Ensemble View of G Protein-Coupled Receptors and the Effect of Mutations and Ligand Binding", Method. Enzymol., 520, 31-48 (2013). doi:10.1016/B978-0-12-391861-1.00002-2

47. D. Latek, A. Modzelewska, B. Trzaskowski, K. Palczewski, S. Filipek, "G Protein-Coupled Receptors - Recent Advances", Acta Biochim. Pol., 59, 515-529 (2012). PDF

46. S. Yuan, U. Ghoshdastider, B. Trzaskowski, D. Latek, A. Debinski, W. Pulawski, R. Wu, V. Gerke, S. Filipek, "The role of water in activation mechanism of human N-formyl Peptide Receptor 1 (FPR1) based on molecular dynamics simulations", PLOS One, 7, e47114 (2012). doi:10.1371/journal.pone.0047114

45. J. Tan, R. Abrol, B. Trzaskowski, W.A. Goddard, "3D Structure Prediction of TAS2R38 Bitter Receptors Bound to Agonists Phenylthiocarbamide (PTC) and 6-n-Propylthiouracil (PROP)", J. Chem. Inf. Model., 52, 1875-1885 (2012). doi:10.1021/ci300133a

44. A. Grunbeck, T. Huber, R. Abrol, B. Trzaskowski, W.A. Goddard, T.P. Sakmar, "Genetically Encoded Photo-cross-linkers Map the Binding Site of an Allosteric Drug on a G Protein-Coupled Receptor", ACS Chem. Biol., 7, 967-972 (2012). doi:10.1021/cb300059z

43. B. Trzaskowski, D. Latek, S. Yuan, U. Ghoshdastider, A. Debinski, S. Filipek, "Action of molecular switches in GPCRs - theoretical and experimental studies", Curr. Med. Chem., 19, 1090-1109 (2012). doi:10.2174/092986712799320556

42. I. Kufareva, M. Rueda, V. Katritch, B. Trzaskowski and other GPCR Dock 2010 participants, R.C. Stevens, R. Abagyan, "Status of GPCR Modeling and Docking as Reflected by Community-wide GPCR Dock 2010 Assessment", Structure, 19, 1108-1112 (2011). doi:10.1016/j.str.2011.05.012

41. W.A. Goddard, S.-K. Kim, Y. Li, B. Trzaskowski, A. Griffith, R. Abrol, "Predicted 3D Structures for Adenosine Receptors Bound to Ligands; Comparison to the Crystal Structure", J. Struct. Biol., 170, 10-20 (2010). doi:10.1016/j.jsb.2010.01.001

40. J.S. Castro, P.A Deymier, B. Trzaskowski, J. Bucay, "Heterogeneous and homogeneous nucleation of Taxol. crystals in aqueous solutions and gels: effect of tubulin proteins", Colloid. Surface. B, 76, 199-206 (2010). doi:10.1016/j.colsurfb.2009.10.033

39. M. Michino, E. Abola, B. Trzaskowski and other GPCR Dock 2008 participants, C.L. Brooks III, J.S. Dixon, J. Moult, R.C. Stevens, "Community-wide assessment of GPCR structure modelling and ligand docking: GPCR Dock 2008", Nat. Rev. Drug. Discov., 8, 455-463 (2009). doi:10.1038/nrd2877

38. B. Trzaskowski, L. Adamowicz, "Chloromethane and dichloromethane decompositions inside nanotubes as models of reactions in confined space", Theor. Chem. Acc., 124, 95-103 (2009). doi:10.1007/s00214-009-0586-0

37. J.S. Castro, B. Trzaskowski, P.A. Deymier, J. Bucay, L. Adamowicz, J.B. Hoying, "Binding affinity of fluorochromes and fluorescent proteins to Taxol crystals", Mat. Sci. Eng. C - Bio. S., 29, 1609-1615 (2009). doi:10.1016/j.msec.2008.12.026

36. B. Trzaskowski, F. Leonarski, A. Les, L. Adamowicz, "Altering the orientation of proteins on self-assembled monolayers, a computational study", Biomacromolecules, 9, 3239-3245 (2008). doi:10.1021/bm800806n

35. B. Trzaskowski, A.F. Jalbout, A.J. Hameed, A. de Leon, A.H. Hessa, "1-(para-substituted phenyl diazenyl) pyrrolidinofullerenes. A Theoretical Study", J. Comput. Theor. Nanosci., 5, 2210-2215 (2008). doi:10.1166/jctn.2008.2498

34. A.F. Jalbout, F.F. Contreras-Torres, A.J. Hameed, B. Trzaskowski, V.A. Basiuk, "Structure and Properties of a Series of Arylselenium [60]Fulleropyrrolidine Derivatives", J. Comput. Theor. Nanosci., 5, 554-562 (2008). doi:10.1166/jctn.2008.015

33. B. Trzaskowski, L. Adamowicz, P.A. Deymier, "A theoretical study of zinc(II) interactions with amino acid models and peptide fragments", J. Biol. Inorg. Chem., 13, 133-137 (2008). doi:10.1007/s00775-007-0306-y

32. A.F. Jalbout, B. Trzaskowski, "The origin of the exact energy expressions in density functional theory", Chemistry, 16, 453-472 (2007).

31. A.F. Jalbout, B. Trzaskowski, Y. Xia, Y. Li, "Geometry predictions, vibrational analysis and IR intensities of XH3Y (X=C, Si, Ge, Y=F, Cl, Br) calculated by hybrid density functional theory, MP2 and MP4 methods", Acta Chim. Slov., 54, 769-777 (2007). PDF

30. H.A. Witek, B. Trzaskowski, E. Malolepsza, K. Morokuma, L. Adamowicz, "Computational study of molecular properties of aggregates of C60 and (16,0) zigzag nanotube", Chem. Phys. Lett., 446, 87-91 (2007). doi:10.1016/j.cplett.2007.08.051

29. B. Trzaskowski, A.F. Jalbout, L. Adamowicz, "Functionalization of carbon nanocones by free radicals. A theoretical study", Chem. Phys. Lett., 444, 314-318 (2007). doi:10.1016/j.cplett.2007.07.045

28. B. Trzaskowski, A. Les, A.F. Jalbout, L. Adamowicz, P.E.M. Siegbahn, "Theoretical modeling of the nonenzymatic solvolysis of CMP-NeuAc in an acidic environment", J. Mol. Struct. THEOCHEM, 820, 90-97 (2007). doi:10.1016/j.theochem.2007.06.007

27. A.F. Jalbout, A. De Leon, L. Adamowicz, B. Trzaskowski, E.C.M. Chen, C. Herder, E.S. Chen, "Theoretical, Empirical and Experimental Electron Affinities of SF6: Solving the Density Functional Enigma", J. Theor. Comput. Chem., 6, 747-759 (2007). doi:10.1142/S0219633607003465

26. M. Pavanello, A.F. Jalbout, B. Trzaskowski, L. Adamowicz, "Fullerene as an Electron Buffer: Charge Transfer in Li@C60", Chem. Phys. Lett., 442, 339-343 (2007). doi:10.1016/j.cplett.2007.05.096

25. A.F. Jalbout, A.J. Hameed, B. Trzaskowski, "Computational note on thermochemical stability of the HO2-CHClO complex", J. Mol. Struct. THEOCHEM, 816, 1-3 (2007). doi:10.1016/j.theochem.2007.03.037

24. B. Bennani, A.F. Jalbout, B.F. Baba, N.B. Larbi, A. Boukir, A. Kerbal, M. Mimouni, T.B. Hadda, B. Trzaskowski, "Synthesis of New Spiro-[isothiochromene-3,5'-isoxazolidin] -4(1H)-ones", J. Heterocyclic Chem., 44, 711-716 (2007). doi:10.1002/jhet.5570440332

23. A.F. Jalbout, M.D. Abul Haider Shipar, B. Trzaskowski, L. Adamowicz, "Formation of glyoxal in hydroxyacetaldehyde and glycine nonenzymatic browning Maillard reaction: A computational study", Food Chem., 103, 359-368 (2007). doi:10.1016/j.foodchem.2006.07.061

22. B. Trzaskowski, R. Guzman, L. Adamowicz, "Cyclododecane and cyclotridecane complexes with cobalt as potent histidine chelators; a theoretical study", Polyhedron, 26, 2477-2481 (2007). doi:10.1016/j.poly.2006.12.020

21. A.F. Jalbout, B. Trzaskowski, E.C.M. Chen, E.S. Chen, L. Adamowicz, "Electron affinities, gas phase acidities, and potential energy curves: Benzene", Int. J. Quantum Chem., 107, 1115-1125 (2007). doi:10.1002/qua.21237

20. A.F. Jalbout, B. Trzaskowski, Y. Xia, Y. Li. X. Hu, H. Li, A. El-Nahas, L. Adamowicz, "Structures, Stabilities and Tautomerizations of Uracil and Diphosphouracil Tautomers", Chem. Phys., 332, 152-161 (2007). doi:10.1016/j.chemphys.2006.10.026

19. A.F. Jalbout, A.J. Hameed, B. Trzaskowski, "Study of the structural and electronic properties of 1-(4, 5 and 6-selenenyl derivatives-3-formyl-phenyl) pyrrolidinofullerenes", J. Organomet. Chem., 692, 1039-1047 (2007). doi:10.1016/j.jorganchem.2006.10.068

18. A.J. Hameed, A.F. Jalbout, B. Trzaskowski, "Theoretical study of molecular and electronic structure of 2-Se-(2-methyl-2propenyl)-1-benzoic acid", Int. J. Quantum Chem., 107, 152-158 (2007). doi:10.1002/qua.21072

17. B. Trzaskowski, P.A. Deymier, L. Adamowicz, "Metallization of nanobiostructures; a theoretical study of copper nanowires growth in microtubules", J. Mater. Chem., 16, 4649-4656 (2006). doi:10.1039/B610844J

16. B. Trzaskowski, A.F. Jalbout, L. Adamowicz, "Molecular Dynamics studies of protein-fragment models encapsulated into carbon nanotubes", Chem. Phys. Lett., 430, 97-100 (2006). doi:10.1016/j.cplett.2006.08.125

15. A.F. Jalbout, B. Trzaskowski, A.J. Hameed, "Theoretical Investigation of the electronic structure of 1-(3,4; 3,5 and 3,6-bis-selenocyanato-phenyl) pyrrolidinofullerenes", J. Organomet. Chem., 691, 4589-4594 (2006). doi:10.1016/j.jorganchem.2006.06.041

14. I. Bouabdallah, I. Zidane, R. Touzani, A. Ramdani, A.F. Jalbout, B. Trzaskowski, "New 1-(ethyl-ethanoate-yl)-5,5'-diisopropyl-3,3'-bipyrazole", Molbank, M491 (2006). doi:10.3390/M491

13. I. Bouabdallah, I. Zidane, R. Touzani, A. Ramdani, A.F. Jalbout, B. Trzaskowski, "New 1-(4-nitrophenyl)-5,5'-diisopropyl-3,3'-bipyrazole", Molbank, M490 (2006). doi:10.3390/M490

12. A.A. Jarrahpour, A.F. Jalbout, J.M. Brunei, C. Loncle, S. Rezaei, B. Trzaskowski, "Synthesis, Physical Characterization, Antibacterial and Antifungal Activities of 2-((E)-1-(2-((E)-1-(2-Hydroxyphenyl)ethylideneamino) phenylamino) ethyl) phenol", Molbank, M489 (2006). doi:10.3390/M489

11. A.F. Jalbout, A.A. Jarrahpour, J.M. Brunel, C. Salmi, S. Rezaei, B. Trzaskowski, "Synthesis, Physical Characterization, Antibacterial and Antifungal activities of a novel bis(3-((E)-1-(2-hydroxyphenyl) ethylideneamino)phenyl)methanone", Molbank, M484 (2006). doi:10.3390/M484

10. B. Trzaskowski, S.G. Stepanian, A. Les, P.A. Deymier, R. Guzman, L. Adamowicz, "Iminodiacetate as a chelating agent for histidine; a theoretical study", J. Comput. Theor. Nanosci., 3, 775-784 (2006). doi:10.1166/jctn.2006.3060

9. A.F. Jalbout, X.-H. Li, B. Trzaskowski, H. Raissi, "Experimental and theoretical Investigation of the IR spectra and thermochemistry of four isomers of 2-N,N-dimethylaminecyclohexyl 1-N',N'-dimethylcarbamate", Eclet. Quim., 31, 53-62 (2006). PDF

8. A.A. Jarrahpour, A.F. Jalbout, S. Rezaei, B. Trzaskowski, "Synthesis and Physical Characterization of 2-((E)-1-(3-((E)-1-(2-hydroxyphenyl) ethylideneamino)-2-methylphenylimino)ethyl)phenol", Molbank, M455 (2006). doi:10.3390/M455

7. S.G. Stepanian, B. Trzaskowski, P.A. Deymier, R. Guzman, L. Adamowicz, "Selectivity of the Chelator-Protein Interactions: A High Level Quantum Chemistry Study", J. Comput. Theor. Nanosci., 3, 78-87 (2006). doi:10.1166/jctn.2006.006

6. B. Trzaskowski, A. Les, L. Adamowicz, "Theoretical Approach Towards the Mechanism of Enzymatic Reaction Catalyzed by Beta-D-Galacoside Alpha-2,3,-Sialyltransferase", Ann. Pol. Chem. Soc., 1, 688-692 (2005).

5. B. Trzaskowski, F. Leonarski, A. Les, L. Adamowicz, "Modeling Tubulin at Interfaces. Immobilization of Microtubules on Self-Assembled Monolayers", J. Phys. Chem. B, 109, 17734-17742 (2005). doi:10.1021/jp052015v

4. B. Trzaskowski, A. Les, L. Adamowicz, P.A. Deymier, R. Guzman, S.G. Stepanian, "Multilevel Quantum Chemistry Approach to the Development of a Database of the SAM-Ligand-Metal Ion-Protein Interactions", J. Comput. Theor. Nanosci., 2, 456-468 (2005). doi:10.1166/jctn.2005.217

3. B. Trzaskowski, A. Les, L. Adamowicz, "Theoretical Investigation of Water/Methanol Attack on Sialic Acid Oxocarbenium Ion", Ann. Pol. Chem. Soc., 3, 473-476 (2004).

2. B. Trzaskowski, A. Les, L. Adamowicz, J. Gervay-Hague, "Design of Candidates for Inhibitors of Solvolysis Catalyzed by Sialyl Transferase", Ann. Pol. Chem. Soc., 1, 125-132 (2003).

1. B. Trzaskowski, A. Les, L. Adamowicz, "Modelling of Octahedral Manganese II Complexes with Inorganic Ligands: a Problem with Spin-States", Int. J. Mol. Sci., 4, 503-511 (2003). doi:10.3390/i4080503