Professor Paul Cox
Biography
UResearch Activity
My work focuses on the application of molecular modelling methods to a wide range of chemical and biological areas. I am the director of the University's Centre for Molecular Design (CMD). We work closely with both both internal and external research groups to provide modelling work in support of experimental studies. The CMD is also an important part of the University's Centre for Enzyme Innovation.
Key Research Topics
1. Catalysis
We use computer simulations to help solve the structure of complex catalytic materials. Notable examples of success include our work on NU-87 and STA-20. Computational methods have also been used to look at the relationshiip between different zeolite structures and the SDAs (Structure Directing Agents) that have been used in their synthesis. By improving our fundamental understanding of this relationship we have been successful in designing new SDAs for new targets.
2. Microporous Materials and Drug Delivery
A combination of theroy and experiment is being used to optimise the use of mesoporous and microporous materials for controlled release. One key goal is the identification of the best material to use for the delivery of a particular drug.
3. Modelling Proteins and Enzymes
A range of modelling techniques have been used to investigate the structure and properties of enzymes and proteins. Docking methods are also used to identify new drug molecules for candidate structures.
Research interests
- Molecular modelling
- Quantum mechanics
- Solid-State chemistry
Research outputs
2025
The Real Structure of Intergrown ZSM‐5/ZSM‐11 Industrial Zeolite Catalysts
Shannon, M. D., Cox, P. A., Mayoral, A., Hsieh, M., Turrina, A.
10 Jul 2025, In: Small Structures, 11p., 2500184
Research output: Article
In situ generation by cyclisation of an organic structure directing agent for the synthesis of high silica zeolite ERS‐7
Lozinska, M. M., Chitac, R. G., Bruce, E., Manoj, M., Du, Y., Dawson, D., Ashbrook, S., Cox, P., Wright, P. A.
3 Apr 2025, In: Chemistry, 11p., e202500327
Research output: Article
2024
Biochemical and structural characterization of enzymes in the 4-hydroxybenzoate catabolic pathway of lignin-degrading white-rot fungi
Kuatsjah, E., Schwartz, A., Zahn, M., Tornesakis, K., Kellermyer, Z., Ingraham, M., Woodworth, S. P., Ramirez, K., Cox, P., Pickford, A., Salvachúa, D.
24 Dec 2024, In: Cell Reports. 43, 20p., 115002
Research output: Article
Understanding the catalytic efficiency of two polyester degrading enzymes: an experimental and theoretical investigation
Clark, M., Tornesakis, K., König, G., Zahn, M., Lichtenstein, B. R., Pickford, A. R., Cox, P. A.
5 Nov 2024, In: ACS Omega. 9, 44, p. 44724-44733, 10p.
Research output: Article
Synthesis of the large pore aluminophosphate STA-1 and its application as a catalyst for the Beckmann rearrangement of cyclohexanone oxime
González-Camuñas, N., Cantín, Á., Dawson, D. M., Lozinska, M. M., Martínez-Triguero, J., Mattock, J., Cox, P. A., Ashbrook, S. E., Wright, P. A., Rey, F.
13 May 2024, In: Journal of Materials Chemistry A
Research output: Article
Schisandrin B suppresses colon cancer growth by inducing cell cycle arrest and apoptosis: molecular mechanism and therapeutic potential
Co, V. A., El-Nezami, H., Liu, Y., Twum, B., Dey, P., Cox, P. A., Joseph, S., Agbodjan-Dossou, R., Sabzichi, M., Draheim, R., Wan, M. L. Y.
8 Mar 2024, In: ACS Pharmacology & Translational Science. 7, 3, p. 863-877
Research output: Article
2023
Combining theoretical and experimental methods to probe confinement within microporous solid acid catalysts for alcohol dehydration
Potter, M. E., Amsler, J., Spiske, L., Plessow, P. N., Asare, T., Carravetta, M., Raja, R., Cox, P. A., Studt, F., Armstrong, L.
5 May 2023, In: ACS Catalysis. 13, 9, p. 5955-5968
Research output: Article
Co‐templating in the designed synthesis of small‐pore zeolite catalysts
Chitac, R. G., Shannon, M. D., Cox, P. A., Mattock, J., Wright, P. A., Turrina, A.
24 Jan 2023,
Research output: Chapter (peer-reviewed)
2022
Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity
Erickson, E., Gado, J. E., Avilan, L., Bratti, F., Brizendine, R. K., Cox, P., Gill, R., Graham, R., Kim, D., Koenig, G., Michener, W. E., Poudel, S., Ramirez, K. J., Shakespeare, T. J., Zahn, M., Boyd, E. S.,
21 Dec 2022, In: Nature Communications. 13, 1, 15p., 7850
Research output: Article
Understanding the anion‐templated, OSDA‐free, interzeolite conversion synthesis of high silica zeolite ZK‐5**
Lozinska, M. M., Bruce, E. L., Mattock, J., Chitac, R. G., Cox, P. A., Turrina, A., Wright, P. A.
7 Oct 2022, In: Chemistry. 28, 56, 8p., e202201689
Research output: Article