Predictive simulation for Enzyme Dynamics, Antimicrobial resistance, Catalysis and Thermoadaptation for Evolution and Design

Mulholland, Adrian J (Principal Investigator)

School of Chemistry

Acronym	PREDACTED
Status	Active
Effective start/end date	1/08/21 → 31/07/26
Links	https://cordis.europa.eu/project/id/101021207

Research Groups and Themes

Max Planck Bristol
BrisSynBio
Bristol BioDesign Institute
BcompB

Access Project

https://cordis.europa.eu/project/id/101021207

8 Article (Academic Journal)

Cooperative Conformational Transitions Underpin the Activation Heat Capacity in the Temperature Dependence of Enzyme Catalysis
Walker, E. J., Hamill, C. J., Crean, R., Connolly, M. S., Warrender, A. K., Kraakman, K. L., Prentice, E. J., Steyn-Ross, A., Steyn-Ross, M., Pudney, C. R., Van der Kamp, M. W., Schipper, L. A., Mulholland, A. J. & Arcus, V. L., 5 Apr 2024, In: ACS Catalysis. 14, 7, p. 4379-4394 16 p.
Research output: Contribution to journal › Article (Academic Journal) › peer-review

Open Access
7 Citations (Scopus)
Decrypting allostery in membrane-bound K-Ras4B using complementary in silico approaches based on unbiased molecular dynamics simulations
Castelli, M., Marchetti, F., Osuna, S., Oliveira, A., Mulholland, A. J., Serapian, S. & Colombo, G., 10 Jan 2024, In: Journal of the American Chemical Society. 146, 1, p. 901-919 19 p.
Research output: Contribution to journal › Article (Academic Journal) › peer-review

Open Access
14 Citations (Scopus)
Dynamical responses predict a distal site that modulates activity in an antibiotic resistance enzyme
Beer, M., Oliveira, A., Tooke, C. L., Hinchliffe, P., Li, A. T. Y., Balega, B., Spencer, J. & Mulholland, A. J., 7 Nov 2024, In: Chemical Science. 15, 41, p. 17232-17244 13 p.
Research output: Contribution to journal › Article (Academic Journal) › peer-review

Open Access
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1 Citation (Scopus)

5 Downloads (Pure)