Adrian Mulholland
Affiliations: | University of Bristol, Bristol, England, United Kingdom |
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Parents
Sign in to add mentorW. Graham Richards | grad student | 1995 | Oxford |
Martin Karplus | post-doc | Harvard |
Children
Sign in to add traineeJitrayut Jitonnom | grad student | University of Bristol | |
Marc W Van der Kamp | grad student | School of Chemistry | |
Marc W Van der Kamp | post-doc | ||
Susanta Haldar | post-doc | 2016-2019 | University of Bristol |
Reynier Suardíaz | research scientist | 2017-2018 |
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Publications
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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 |