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Researcher Details
 
Name: Professor AJ Mulholland
Organisation: University of Bristol
Department: Chemistry
Current EPSRC-Supported Research Topics:
Biological & Medicinal Chem. Biophysics
Catalysis & Applied Catalysis Design & Testing Technology
Design of Process systems Structural biology

Current EPSRC Support
EP/R027129/1 Hub 'Science' 3: Catalysis for the Circular Economy and Sustainable Manufacturing(C)
EP/R026939/1 The UK Catalysis Hub -'Core'(C)
EP/R026815/1 The UK Catalysis Hub - 'Science': 1 - Optimising, predicting and designing new Catalysts(C)
EP/R026645/1 The UK Catalysis Hub - 'Science': 2 Catalysis at the Water-Energy Nexus(C)
EP/P022138/1 EPSRC Flagship Software - BioSimSpace: A shared space for the community development of biomolecular simulation workflows(C)
EP/N024117/1 Nicotinic Ligand Development to Target Smoking Cessation and Gain a Molecular Level Understanding of Partial Agonism(C)
EP/M022609/1 CCP-BioSim: Biomolecular Simulation at the Life Sciences Interface(P)
EP/M013219/1 Biocatalysis & Biotransformation: A 5th Theme for the National Catalysis Hub(C)
Previous EPSRC Support
EP/M027546/1 BristolBridge: Bridging the Gaps between the Engineering and Physical Sciences and Antimicrobial Resistance(P)
EP/M015378/1 Predicting drug-target binding kinetics through multiscale simulations(P)
EP/L000253/1 The UK High-End Computing Consortium for Biomolecular Simulation(P)
EP/J010588/1 CCP-BioSim: Biomolecular simulation at the life sciences interface(P)
EP/I030395/1 Adaptive Multi-Resolution Massively-Multicore Hybrid Dynamics(P)
EP/G002843/1 Combined experimental and computational investigations of a nucleophilic displacement reaction with a hydride leaving group(P)
EP/G042853/1 Multiscale Ensemble Computing for Modelling Biological Catalysts(P)
EP/G007705/1 Computational biochemistry: predictive modelling for biology and medicine(P)
EP/F010516/1 Accelerating rational drug design with multi-threaded array processors(C)
EP/E022197/1 Combined quantum mechanics/molecular mechanics (QM/MM) Monte Carlo free energy simulations: a feasibility study(P)
EP/C532910/1 Accurate QM/MM methods for modelling enzyme catalysis(C)
EP/D000173/1 Towards the Dynome: Adding a 4th Dimension to the Protein Database by Terascale Simulation(C)
GR/R86102/01 Insights into enzyme catalysed hydrogen tunneling at the atomic level using computational chemistry.(C)
GR/R86119/01 Insights into enzyme catalysed hydrogen tunnelling at the atomic level using computational chemistry(P)
GR/N08865/01 COMBINING THEORY AND EXPERIMENT TO EXAMINE THE MECHANISM OF CATALYSIS BY ASADH(C)
GR/A00522/01 AF: BIOCHEMICAL CATALYSIS IN NORMAL & EXTREME CONDITIO NS: SIMULATION OF ENZYME MECHANISMS & DYNAMICS(P)
GR/M34799/01 JREI: COMPUTATIONAL CHEMISTRY OF MOLECULES, MATERIALS AND ENZYMES(C)
Key: (P)=Principal Investigator, (C)=Co-Investigator, (R)=Researcher Co-Investigator