2024
Exploration of the polymorphic solid-state landscape of an amide-linked organic cage using computation and automation. (Journal article)
Shields, C. E., Fellowes, T., Slater, A. G., Cooper, A. I., Andrews, K. G., & Szczypiński, F. T. (2024). Exploration of the polymorphic solid-state landscape of an amide-linked organic cage using computation and automation.. Chemical communications (Cambridge, England), 60(47), 6023-6026. doi:10.1039/d4cc01407cDOI: 10.1039/d4cc01407c
2022
Yuan, Q., Szczypiński, F. T., & Jelfs, K. E. (2022). Explainable graph neural networks for organic cages.. Digital discovery, 1(2), 127-138. doi:10.1039/d1dd00039jDOI: 10.1039/d1dd00039j
2021
Bennett, S., Szczypinski, F. T., Turcani, L., Briggs, M. E., Greenaway, R. L., & Jelfs, K. E. (2021). Materials Precursor Score: Modeling Chemists' Intuition for the Synthetic Accessibility of Porous Organic Cage Precursors. JOURNAL OF CHEMICAL INFORMATION AND MODELING, 61(9), 4342-4356. doi:10.1021/acs.jcim.1c00375DOI: 10.1021/acs.jcim.1c00375
<i>stk</i>: An extendable Python framework for automated molecular and supramolecular structure assembly and discovery (Journal article)
Turcani, L., Tarzia, A., Szczypinski, F. T., & Jelfs, K. E. (2021). <i>stk</i>: An extendable Python framework for automated molecular and supramolecular structure assembly and discovery. JOURNAL OF CHEMICAL PHYSICS, 154(21). doi:10.1063/5.0049708DOI: 10.1063/5.0049708
2020
Can we predict materials that can be synthesised? (Journal article)
Szczypinski, F. T., Bennett, S., & Jelfs, K. E. (2021). Can we predict materials that can be synthesised?. CHEMICAL SCIENCE, 12(3), 830-840. doi:10.1039/d0sc04321dDOI: 10.1039/d0sc04321d
Inducing Social Self-Sorting in Organic Cages To Tune The Shape of The Internal Cavity (vol 59, pg 16755, 2020) (Journal article)
Abet, V., Szczypinski, F. T., Little, M. A., Santolini, V., Jones, C. D., Evans, R., . . . Slater, A. G. (2020). Inducing Social Self-Sorting in Organic Cages To Tune The Shape of The Internal Cavity (vol 59, pg 16755, 2020). ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 59(46), 20272. doi:10.1002/anie.202012719DOI: 10.1002/anie.202012719
Abet, V., Szczypinski, F. T., Little, M. A., Santolini, V., Jones, C. D., Evans, R., . . . Slater, A. G. (2020). Inducing Social Self‐Sorting in Organic Cages To Tune The Shape of The Internal Cavity. Angewandte Chemie International Edition. doi:10.1002/anie.202007571DOI: 10.1002/anie.202007571
Slater, A., Abet, V., Szczypinski, F., Little, M., Santolini, V., Jones, C. D., . . . Jelfs, K. (2020). Inducing social self-sorting in organic cages to tune the shape of the internal cavity. Angewandte Chemie. doi:10.1002/ange.202007571DOI: 10.1002/ange.202007571
Greenaway, R. L., Santolini, V., Szczypinski, F. T., Bennison, M. J., Little, M. A., Marsh, A., . . . Cooper, A. I. (2020). Organic Cage Dumbbells. CHEMISTRY-A EUROPEAN JOURNAL, 26(17), 3718-3722. doi:10.1002/chem.201905623DOI: 10.1002/chem.201905623
2019
Building blocks for recognition-encoded oligoesters that form H-bonded duplexes (Journal article)
Szczypinski, F. T., & Hunter, C. A. (2019). Building blocks for recognition-encoded oligoesters that form H-bonded duplexes. CHEMICAL SCIENCE, 10(8), 2444-2451. doi:10.1039/c8sc04896gDOI: 10.1039/c8sc04896g
Emergent supramolecular assembly properties of a recognition-encoded oligoester (Journal article)
Szczypinski, F. T., Gabrielli, L., & Hunter, C. A. (2019). Emergent supramolecular assembly properties of a recognition-encoded oligoester. CHEMICAL SCIENCE, 10(20), 5397-5404. doi:10.1039/c9sc01669dDOI: 10.1039/c9sc01669d
2016
A platform for the discovery of new macrolide antibiotics (Journal article)
Seiple, I. B., Zhang, Z., Jakubec, P., Langlois-Mercier, A., Wright, P. M., Hog, D. T., . . . Myers, A. G. (2016). A platform for the discovery of new macrolide antibiotics. NATURE, 533(7603), 338-+. doi:10.1038/nature17967DOI: 10.1038/nature17967
2015
Designed Enclosure Enables Guest Binding Within the 4200 Å<SUP>3</SUP> Cavity of a Self-Assembled Cube (Journal article)
Ramsay, W. J., Szczypinski, F. T., Weissman, H., Ronson, T. K., Smulders, M. M. J., Rybtchinski, B., & Nitschke, J. R. (2015). Designed Enclosure Enables Guest Binding Within the 4200 Å<SUP>3</SUP> Cavity of a Self-Assembled Cube. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 54(19), 5636-5640. doi:10.1002/anie.201501892DOI: 10.1002/anie.201501892
