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Adrian J. Mulholland

university of bristol

71H-index
474Paper Count
1.6WCitation Count
Published Papers 178
Publication Date
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Correction to “Monooxygenase Activity of Indoleamine 2; 3-Dioxygenase”
errJournal of the American Chemical Society
IF15.6
err2026-06-26
err0
errOAAI
errAli B. Lubis; Anna J. Bailey; Marko Hanževački; Christopher Williams; Mehul Jesani; Lola González-Sánchez; Christopher J. Arthur; Hannah C. Wilson; Andrea E. Gallio; Peter C. E. Moody; Matthew P. Crump; Adrian J. Mulholland; Allen M. Orville; Jonathan Clayden; Emma L. Raven
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Hydrogen-Bonding Changes Cause Differences in Imipenem Breakdown Activity in OXA-48 Variants
errJournal of Chemical Information and Modeling
IF5.3
err2026-04-22
err0
errOAAI
errDaojiong Wang; Adrian J. Mulholland; James Spencer; Marc W. van der Kamp
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errSave
Monooxygenase Activity of Indoleamine 2; 3-Dioxygenase
errJournal of the American Chemical Society
IF15.6
err2026-02-05
err0
errOAAI
errAli B. Lubis; Anna J. Bailey; Marko Hanževački; Christopher Williams; Mehul Jesani; Lola González-Sánchez; Christopher J. Arthur; Hannah C. Wilson; Andrea E. Gallio; Peter C. E. Moody; Matthew P. Crump; Adrian J. Mulholland; Allen M. Orville; Jonathan Clayden; Emma L. Raven
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errSave
Elements and roadmap for interactive molecular graphics and modeling “in the Holodeck”
errProtein Science
IF5.2
err2026-01-20
err0
errOAAI
errAdrian J. Mulholland; Luciano A. Abriata
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errSave
Metallo-coiled Coil Stabilization via Chemical Cross-Linking: Implications for Gd(III)-Based MRI Contrast Agents
errJournal of the American Chemical Society
IF15.6
err2025-11-05
err0
errOAAI
errKate A. Hadley; Marco Ricci; Marko Hanzevacki; Helena Bernstein; Hiruni S. Jayasekera; Aneika C. Leney; Adrian J. Mulholland; Fabio Carniato; Mauro Botta; Melanie M. Britton; Anna F. A. Peacock
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errSave
Solvent Channels and Electric Fields Guide Proton Delivery to the Active Site of Heme Peroxidases
errAngewandte Chemie International Edition
IF0
err2025-09-21
err0
errOAAI
errReynier Suardíaz; Shakir Ali Siddiqui; Hanna Kwon; Marc W. van der Kamp; Lola González-Sánchez; Peter C. E. Moody; Emma L. Raven; Adrian J. Mulholland
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errSave
All Roads Lead to Carbinolamine: QM/MM Study of Enzymatic C-N Bond Cleavage in Anaerobic Glycyl Radical Enzyme Choline Trimethylamine-Lyase (CutC)
errJOURNAL OF PHYSICAL CHEMISTRY B
IF2.9
err2025-09-01
err0
errOAAI
errHanzevacki, Marko; Guven, J. Jasmin; Hinchliffe, Philip; Shaw, John; Mey, Antonia S. J. S.; Fey, Natalie; Spencer, James; Mulholland, Adrian J.
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errSave
Mechanistic basis for inhibition of the extended-spectrum β-lactamase GES-1 by enmetazobactam and tazobactam
errFEBS LETTERS
IF3
err2025-09-01
err0
errOAAI
errBeer, Michael; Hinchliffe, Philip; Hanzevacki, Marko; Bethel, Christopher R.; Tooke, Catherine L.; van der Kamp, Marc W.; Papp-Wallace, Krisztina M.; Bonomo, Robert A.; Shapiro, Stuart; Mulholland, Adrian J.; Spencer, James
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Electrostatic interactions influence diazabicyclooctane inhibitor potency against OXA-48-like β-lactamases
errRSC Med. Chem.
IF3.6
err2025-08-09
err0
errOAAI
errJoseph Francis Hoff; Kirsty Elizabeth Goudar; Karina Calvopiña; Michael Beer; Philip Hinchliffe; John Shaw; Catherine Louise Tooke; Yuiko Takebayashi; Andrew Cadzow; Nicholas Harmer; Adrian John Mulholland; Christopher J Schofield; James Spencer
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Double crossed? Structural and computational studies of an unusually crosslinked haem in Methylococcuscapsulatus cytochrome P460
errChem. Sci.
IF7.4
err2025-08-09
err0
errOAAI
errHans Emile Pfalzgraf; Aditya G. Rao; Kakali Sen; Hannah R. Adams; Marcus Edwards; You Lu; Chin Yong; Sofia Jaho; Takehiko Tosha; Hiroshi Sugimoto; Sam Horrell; James Beilsten-Edmands; Robin L Owen; Colin R. Andrew; Jonathan A.R. Worrall; Ivo Tews; Adrian John Mulholland; Michael A. Hough; Thomas W. Keal
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errSave
Dynamic Behavior and Substrate Interactions of the Polymyxin Resistance Determinant MCR-1 Investigated by Molecular Dynamics Simulations in the Membrane Environment
errJournal of Chemical Information and Modeling
IF5.3
err2025-07-22
err0
PREAI
errEmily Lythell; Jack Badley; Reynier Suardíaz; Catherine R. Gurr; Catherine L. Tooke; Philip Hinchliffe; A. Sofia F. Oliveira; Marc W. Van der Kamp; James Spencer; Adrian J. Mulholland
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Hybrid virtual screening identifies dipyrazole carboxamide derivatives as novel direct InhA inhibitors with antitubercular activity
errbiochimica et biophysica acta general subjects
IF0
err2025-05-26
err0
PREAI
errAuradee Punkvang; Bongkochawan Pakamwong; Naruedon Phusi; Paptawan Thongdee; Kampanart Chayajarus; Jidapa Sangswan; Kanjana Pangjit; Khomson Suttisintong; Jiraporn Leanpolchareanchai; Poonpilas Hongmanee; Pitak Santanirand; James Spencer; Adrian J. Mulholland; Sanya Sureram; Prasat Kittakoop; Pornpan Pungpo
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errSave
Ligand-Based Virtual Screening for Discovery of Indole Derivatives as Potent DNA Gyrase ATPase Inhibitors Active against Mycobacterium tuberculosis and Hit Validation by Biological Assays
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-07-12
err5
errOAAI
errPakamwong, Bongkochawan; Thongdee, Paptawan; Kamsri, Bundit; Phusi, Naruedon; Taveepanich, Somjintana; Chayajarus, Kampanart; Kamsri, Pharit; Punkvang, Auradee; Hannongbua, Supa; Sangswan, Jidapa; Suttisintong, Khomson; Sureram, Sanya; Kittakoop, Prasat; Hongmanee, Poonpilas; Santanirand, Pitak; Leanpolchareanchai, Jiraporn; Spencer, James; Mulholland, Adrian J.; Pungpo, Pornpan
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Sire: An interoperability engine for prototyping algorithms and exchanging information between molecular simulation programs
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-05-30
err6
errOAAI
errWoods, Christopher J.; Hedges, Lester O.; Mulholland, Adrian J.; Malaisree, Maturos; Tosco, Paolo; Loeffler, Hannes H.; Suruzhon, Miroslav; Burman, Matthew; Bariami, Sofia; Bosisio, Stefano; Calabro, Gaetano; Clark, Finlay; Mey, Antonia S. J. S.; Michel, Julien
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Electric Fields Are a Key Determinant of Carbapenemase Activity in Class A β-Lactamases
errACS CATALYSIS
IF13.1
err2024-04-23
err4
errOAAI
errJabeen, Hira; Beer, Michael; Spencer, James; van der Kamp, Marc W.; Bunzel, H. Adrian; Mulholland, Adrian J.
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errSave
Cooperative Conformational Transitions Underpin the Activation Heat Capacity in the Temperature Dependence of Enzyme Catalysis
errACS CATALYSIS
IF13.1
err2024-03-08
err4
errOAAI
errWalker, Emma J.; Hamill, Carlin J.; Crean, Rory; Connolly, Michael S.; Warrender, Annmaree K.; Kraakman, Kirsty L.; Prentice, Erica J.; Steyn-Ross, Alistair; Steyn-Ross, Moira; Pudney, Christopher R.; van der Kamp, Marc W.; Schipper, Louis A.; Mulholland, Adrian J.; Arcus, Vickery L.
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Biocatalytic pathways, cascades, cells and systems: general discussion
errFARADAY DISCUSSIONS
IF3.1
err2024-01-01
err0
PREAI
errAbramiuk, Magdalena; Acevedo-Rocha, Carlos; Alogaidi, Abdulrahman; Armstrong, Fraser; Bakshi, Amulyasai; Bornscheuer, Uwe T.; Campopiano, Dominic J.; Chaiyen, Pimchai; Ehinger, Friedrich Johannes; Flitsch, Sabine; Harvey, Jeremy N.; Hilvert, Donald; Jarvis, Amanda G.; Jones, Rhiannon E. H.; Lichtenstein, Bruce R.; Luk, Louis Y. P.; Lurshay, Tara C.; Malcomson, Thomas; Marsh, E. Neil G.; Mcfarlane, Neil R.; Mckenzie, Alexander; Megarity, Clare F.; Moliner, Vicent; Mulholland, Adrian J.; Orton, Ben; Pelletier, Joelle N.; Raczynska, Agata; Syren, Per-Olof; Thompson, Sean Adeoti; Turner, Nicholas; Valetti, Francesca; Wong, Lu Shin; Zeymer, Cathleen
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Diffusion mechanisms and preferential dynamics of promoter molecules in ZSM-5 zeolite
errCATALYSIS SCIENCE & TECHNOLOGY
IF4.2
err2024-01-01
err0
errOAAI
errDunn, Josh; Crossley-Lewis, Joe; McCluskey, Andrew R.; Jackson, Fiona; Buda, Corneliu; Sunley, Glenn J.; Mulholland, Adrian J.; Allan, Neil L.
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errSave
Enzyme evolution, engineering and design: mechanism and dynamics: general discussion
errFARADAY DISCUSSIONS
IF3.1
err2024-01-01
err0
PREAI
errAcevedo-Rocha, Carlos; Berlicki, Lukasz; Bornscheuer, Uwe T.; Campopiano, Dominic J.; Chaiyen, Pimchai; Civic, Janko; Cong, Zhiqi; Ehinger, Friedrich Johannes; Flitsch, Sabine; Gora, Artur; Hanzevacki, Marko; Harvey, Jeremy N.; Hilvert, Donald; Hollfelder, Florian; Jarvis, Amanda G.; Lichtenstein, Bruce R.; Lutz, Stefan; Malcomson, Thomas; Marsh, E. Neil G.; Mcfarlane, Neil R.; Mckenzie, Alexander; Mulholland, Adrian; Osuna, Silvia; Pelletier, Joelle N.; Raczynska, Agata; Roelfes, Gerard; Rulisek, Lubomir; Stockinger, Peter; Turner, Nicholas; Valetti, Francesca; van der Kamp, Marc; Widersten, Mikael; Zeymer, Cathleen
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Dynamical responses predict a distal site that modulates activity in an antibiotic resistance enzyme
errCHEMICAL SCIENCE
IF7.4
err2024-01-01
err1
errOAAI
errBeer, Michael; Oliveira, Ana Sofia F.; Tooke, Catherine L.; Hinchliffe, Philip; Tsz Yan Li, Angie; Balega, Balazs; Spencer, James; Mulholland, Adrian J.
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Research Directions

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Co-authors
Cooperation Journals
M
Martin Karplus
H-index: 167 · Papers: 981
M
Michele Parrinello
H-index: 155 · Papers: 924
W
William H. Miller
H-index: 129 · Papers: 960
R
Robert A. Bonomo
H-index: 115 · Papers: 1.1K
D
Daniele Piomelli
H-index: 112 · Papers: 620
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