Adrian Mulholland

Affiliations: 
University of Bristol, Bristol, England, United Kingdom 
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"Adrian Mulholland"
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Amaro RE, Åqvist J, Bahar I, et al. (2025) The need to implement FAIR principles in biomolecular simulations. Nature Methods
Beer M, Oliveira ASF, Tooke CL, et al. (2024) Dynamical responses predict a distal site that modulates activity in an antibiotic resistance enzyme. Chemical Science
Acevedo-Rocha C, Berlicki L, Bornscheuer UT, et al. (2024) Enzyme evolution, engineering and design: mechanism and dynamics: general discussion. Faraday Discussions
Acevedo-Rocha C, Bakshi A, Bornscheuer UT, et al. (2024) Artificial, biomimetic and hybrid enzymes: general discussion. Faraday Discussions
Fröhlich C, Bunzel HA, Buda K, et al. (2024) Epistasis arises from shifting the rate-limiting step during enzyme evolution of a β-lactamase. Nature Catalysis. 7: 499-509
Jabeen H, Beer M, Spencer J, et al. (2024) Electric Fields Are a Key Determinant of Carbapenemase Activity in Class A β-Lactamases. Acs Catalysis. 14: 7166-7172
Walker EJ, Hamill CJ, Crean R, et al. (2024) Cooperative Conformational Transitions Underpin the Activation Heat Capacity in the Temperature Dependence of Enzyme Catalysis. Acs Catalysis. 14: 4379-4394
Castelli M, Marchetti F, Osuna S, et al. (2023) Decrypting Allostery in Membrane-Bound K-Ras4B Using Complementary Approaches Based on Unbiased Molecular Dynamics Simulations. Journal of the American Chemical Society. 146: 901-919
Deeks HM, Zinovjev K, Barnoud J, et al. (2023) Free energy along drug-protein binding pathways interactively sampled in virtual reality. Scientific Reports. 13: 16665
Tooke CL, Hinchliffe P, Beer M, et al. (2023) Tautomer-Specific Deacylation and Ω-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 β-Lactamase. Journal of the American Chemical Society
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