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Adrian J. Mulholland

university of bristol

71H指数
474论文数
1.6W被引数
收录论文 178
发表时间
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Correction to “Monooxygenase Activity of Indoleamine 2; 3-Dioxygenase”对“色氨酸2;3-加氧酶的单加氧酶活性”的修正
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
err分享
err收藏
Hydrogen-Bonding Changes Cause Differences in Imipenem Breakdown Activity in OXA-48 Variants氢键变化导致OXA-48变体中亚胺培南分解活性的差异
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
err分享
err收藏
Monooxygenase Activity of Indoleamine 2; 3-Dioxygenase吲哚胺2; 3-双加氧酶的单加氧酶活性
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
err分享
err收藏
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
err分享
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Metallo-coiled Coil Stabilization via Chemical Cross-Linking: Implications for Gd(III)-Based MRI Contrast Agents通过化学交联稳定金属螺旋线圈：对Gd(III)基MRI对比剂的启示
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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Solvent Channels and Electric Fields Guide Proton Delivery to the Active Site of Heme Peroxidases溶剂通道和电场引导质子输送到血红素过氧化物酶的活性位点
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
err分享
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All Roads Lead to Carbinolamine: QM/MM Study of Enzymatic C-N Bond Cleavage in Anaerobic Glycyl Radical Enzyme Choline Trimethylamine-Lyase (CutC)Hanzevacki, M.; Güven, J.J.; Hinchliffe, P.; Shaw, J.; Mey, A.S.J.S.; Fey, N.; Spencer, J.; Mulholland, A.J. 所有路径都指向卡宾醇胺：量子力学/分子力学（QM/MM）研究厌氧甘氨酸自由基酶胆碱三甲胺裂解酶（CutC）中的酶促C-N键断裂。J. Phys. Chem. B 2025, 129, 9322–9332. [Google Scholar] [CrossRef]
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.
err分享
err收藏
Mechanistic basis for inhibition of the extended-spectrum β-lactamase GES-1 by enmetazobactam and tazobactam广谱β-内酰胺酶GES-1被恩美他唑巴坦和他唑巴坦抑制的机制基础
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静电相互作用影响diaza bicyclooctane抑制剂的活性对OXA-48-like β-内酰胺酶的效力
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双重交叉？Methylococcuscapsulatus细胞色素P460中异常交联的血红素的结构与计算研究
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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Dynamic Behavior and Substrate Interactions of the Polymyxin Resistance Determinant MCR-1 Investigated by Molecular Dynamics Simulations in the Membrane Environment在膜环境中通过分子动力学模拟研究的MCR-1多黏菌素耐药决定因子的动态行为与底物相互作用
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杂交虚拟筛选识别出二吡唑羧酰胺衍生物作为具有抗结核活性的新型直接 InhA 抑制剂
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
err分享
err收藏
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.
err分享
err收藏
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.
err分享
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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.
err分享
err收藏

研究方向

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