Piskorz TK - Search Results

1

Computational Modeling of Supramolecular Metallo-organic Cages-Challenges and Opportunities.

Piskorz TK, Martí-Centelles V, Young TA, Lusby PJ, Duarte F. Piskorz TK, et al. ACS Catal. 2022 May 20;12(10):5806-5826. doi: 10.1021/acscatal.2c00837. Epub 2022 May 2. ACS Catal. 2022. PMID: 35633896 Free PMC article. Review.

2

Picking the lock of coordination cage catalysis.

Piskorz TK, Martí-Centelles V, Spicer RL, Duarte F, Lusby PJ. Piskorz TK, et al. Chem Sci. 2023 Sep 8;14(41):11300-11331. doi: 10.1039/d3sc02586a. eCollection 2023 Oct 25. Chem Sci. 2023. PMID: 37886081 Free PMC article. Review.

3

Origins of High-Activity Cage-Catalyzed Michael Addition.

Boaler PJ, Piskorz TK, Bickerton LE, Wang J, Duarte F, Lloyd-Jones GC, Lusby PJ. Boaler PJ, et al. Among authors: piskorz tk. J Am Chem Soc. 2024 Jul 17;146(28):19317-19326. doi: 10.1021/jacs.4c05160. Epub 2024 Jul 8. J Am Chem Soc. 2024. PMID: 38976816 Free PMC article.

4

CageCavityCalc (C3): A Computational Tool for Calculating and Visualizing Cavities in Molecular Cages.

Martí-Centelles V, Piskorz TK, Duarte F. Martí-Centelles V, et al. Among authors: piskorz tk. J Chem Inf Model. 2024 Jul 22;64(14):5604-5616. doi: 10.1021/acs.jcim.4c00355. Epub 2024 Jul 9. J Chem Inf Model. 2024. PMID: 38980812 Free PMC article.

5

Tips and Tricks in the Modeling of Supramolecular Peptide Assemblies.

Piskorz TK, Perez-Chirinos L, Qiao B, Sasselli IR. Piskorz TK, et al. ACS Omega. 2024 Jul 8;9(29):31254-31273. doi: 10.1021/acsomega.4c02628. eCollection 2024 Jul 23. ACS Omega. 2024. PMID: 39072142 Free PMC article. Review.

6

Enzyme-like Acyl Transfer Catalysis in a Bifunctional Organic Cage.

Andrews KG, Piskorz TK, Horton PN, Coles SJ. Andrews KG, et al. Among authors: piskorz tk. J Am Chem Soc. 2024 Jul 3;146(26):17887-17897. doi: 10.1021/jacs.4c03560. Epub 2024 Jun 24. J Am Chem Soc. 2024. PMID: 38914009 Free PMC article.

7

Metallicious: Automated Force-Field Parameterization of Covalently Bound Metals for Supramolecular Structures.

Piskorz TK, Lee B, Zhan S, Duarte F. Piskorz TK, et al. J Chem Theory Comput. 2024 Oct 22;20(20):9060-9071. doi: 10.1021/acs.jctc.4c00850. Epub 2024 Oct 7. J Chem Theory Comput. 2024. PMID: 39373209 Free PMC article.

8

How the Choice of Force-Field Affects the Stability and Self-Assembly Process of Supramolecular CTA Fibers.

Piskorz TK, de Vries AH, van Esch JH. Piskorz TK, et al. J Chem Theory Comput. 2022 Jan 11;18(1):431-440. doi: 10.1021/acs.jctc.1c00257. Epub 2021 Nov 23. J Chem Theory Comput. 2022. PMID: 34812627 Free PMC article.

9

Transient Supramolecular Hydrogels Formed by Aging-Induced Seeded Self-Assembly of Molecular Hydrogelators.

Wang Y, Piskorz TK, Lovrak M, Mendes E, Guo X, Eelkema R, van Esch JH. Wang Y, et al. Among authors: piskorz tk. Adv Sci (Weinh). 2021 Aug;8(15):e2003537. doi: 10.1002/advs.202003537. Adv Sci (Weinh). 2021. PMID: 34347388 Free PMC article. No abstract available.

10

Transient Supramolecular Hydrogels Formed by Aging-Induced Seeded Self-Assembly of Molecular Hydrogelators.

Wang Y, Piskorz TK, Lovrak M, Mendes E, Guo X, Eelkema R, van Esch JH. Wang Y, et al. Among authors: piskorz tk. Adv Sci (Weinh). 2020 Feb 5;7(7):1902487. doi: 10.1002/advs.201902487. eCollection 2020 Apr. Adv Sci (Weinh). 2020. PMID: 32274297 Free PMC article.

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