Tomasz K. Piskorz

Tomasz K. Piskorz

Computational Chemist | Post-doc at Duarte Group at Oxford University

Publications

You can also find my articles on my Google Scholar profile.

If you do not have access to these articles, just drop me an e-mail, I will be happy to provide you a copy of the manuscript.

  1. T.K. Piskorz, B. Lee, S. Zhan, F. Duarte, submitted doi:10.26434/chemrxiv-2024-383j5

  2. V. Martí-Centelles, T. K. Piskorz, F. Duarte. CageCavityCalc (C3): A computational tool for calculating and visualizing cavities in Molecular Cages. J. Chem. Inf. Model. 2024, 64, 14, 5604–5616. doi.org:10.1021/acs.jcim.4c0035

  3. P. J. Boaler, T. K. Piskorz, L. E. Bickerton, J. Wang, F. Duarte, G. C. Lloyd-Jones, P. J. Lusby. Origins of High-Activity Cage-Catalyzed Michael Addition.J. Am. Chem. Soc. 2024, 146, 19317−19326. doi.org:10.1021/jacs.4c05160

  4. T. K. Piskorz, L. Perez-Chirinos, B. Qiao, I. R. Sasselli. Tips and Tricks in the Modeling of Supramolecular Peptide Assemblies. ACS Omega. 2024, 9, 29, 31254–31273. doi.org:10.1021/acsomega.4c02628

  5. K. G. Andrews, T.K. Piskorz, P. N. Horton, S. J. Coles. Enzyme-like acyl transfer catalysis in a bifunctional organic cage. J. Am. Chem. Soc. 2024, 146, 17887−17897. doi.org:10.1021/jacs.4c03560

  6. T. K. Piskorz, V. Martí Centelles, R. Spicer, F. Duarte, P. Lusby. Picking the Lock of Coordination Cage Catalysis. Chem. Sci. 2023, 14, 11300-11331. doi.org:10.1039/d3sc02586a

  7. T.K. Piskorz,, V. Martí-Centelles, T. A. Young, P. J. Lusby, F. Duarte. Computational Modeling of Supramolecular Metallo-organic Cages-Challenges and Opportunities. ACS Catalysis, 2022, 5806–5826. doi:10.1021/acscatal.2c00837

  8. T.K. Piskorz, A. H. de Vries, J. H. van Esch. How the Choice of Force-Field Affects the Stability and Self-Assembly Process of Supramolecular CTA Fibers . J. Chem. Theory Comput., 2022, 18(1), 431–440. doi:10.1021/acs.jctc.1c00257

  9. Q. Liu, Z. Yuan, M. Zhao, M. Huisman, G. Drewes, T.K. Piskorz, S. Mytnyk, G.J.M. Koper, E. Mendes, J.H. van Esch, (2020), Interfacial micro‐compartmentalization by kinetic control of selective interfacial accumulation, Angew. Chem. Int. Ed., 2020, 59, 23748. doi:10.1002/anie.202009701

  10. Y. Wang, T.K. Piskorz, M. Lovrak, E. Mendes, X. Guo, R. Eelkema, J.H. van Esch, Transient Supramolecular Hydrogels Formed by Aging‐Induced Seeded Self‐Assembly of Molecular Hydrogelators. Adv. Sci., 2020, 7, 1902487. doi:10.1002/advs.201902487

  11. T.K. Piskorz, C. Gobbo, S.J. Marrink, S. De Feyter, A.H. De Vries, J.H. van Esch. Nucleation Mechanisms of Self-Assembled Physisorbed Monolayers on Graphite. J. Phys. Chem. C, 2019, 123, 28, 17510-17520. doi:10.1021/acs.jpcc.9b01234

  12. T.K. Piskorz, A.H. de Vries, S. De Feyter, J.H. van Esch, Mechanism of Ostwald Ripening in 2D Physisorbed Assemblies at Molecular Time and Length Scale by Molecular Dynamics Simulations, J. Phys. Chem. C, 2018, 122, 42, 24380-24385, doi:10.1021/acs.jpcc.8b06432.

  13. I.P. Moreira, T.K. Piskorz, J.H. van Esch, T. Tuttle, R.V. Ulijn, Biocatalytic Self-Assembly of Tripeptide Gels and Emulsions, Langmuir, 2017, 33, 20, 4986-4995. doi:10.1021/acs.langmuir.7b00428.

  14. T.K. Piskorz, A. Ochab-Marcinek, A Universal Model of Restricted Diffusion for Fluorescence Correlation Spectroscopy, J. Phys. Chem. B, 2014, 118, 18, 4906-4912. doi:10.1021/jp502467u.