Professor Adrian Mulholland
B.Sc.(Bristol), D.Phil.(Oxon.)
Current positions
Professor
School of Chemistry
Contact
Press and media
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Research interests
Projects and supervisions
Research projects
IIPF2024-09 - BBSRC IIP - Laboratory and virtual reality studies of ligand interactions with Mycobacterium tuberculosis targets
Principal Investigator
Managing organisational unit
School of ChemistryDates
01/04/2024 to 29/06/2024
Isambard 3: 4 JeS form - Apr23-Sep23 Costs
Principal Investigator
Managing organisational unit
School of ChemistryDates
01/04/2023 to 30/09/2023
8084 BrisEngBio Pilot Project: Design of Photocatalytic Nitrogenases
Principal Investigator
Managing organisational unit
School of ChemistryDates
01/08/2022 to 31/01/2024
Predictive multiscale free energy simulations of hybrid transition metal catalysts
Principal Investigator
Managing organisational unit
School of ChemistryDates
01/07/2022 to 30/06/2026
BEORHN: Bacterial Enzymatic Oxidation of Reactive Hydroxylamine in Nitrification via Combined Structural Biology and Molecular Simulation
Principal Investigator
Managing organisational unit
School of ChemistryDates
01/01/2022 to 31/12/2024
Thesis supervisions
Interim spaces : reshaping London : the role of short life property, 1970 to 2000
Supervisors
NMR Parameter Prediction with Machine Learning
Supervisors
Substrate and Inhibitor Interactions of Class A β-Lactamases
Supervisors
Computational Design and Structural Characterization of de novo Heme Maquettes
Supervisors
Biomolecular Applications of Interactive Molecular Dynamics in Virtual Reality
Supervisors
Modelling the reactivity of zinc metalloenzymes and the SARS-CoV-2 main protease
Supervisors
Computational design, construction, and characterisation of artificial peroxidases
Supervisors
Modelling the reactivity of glutamate mutase and heme dioxygenase enzymes
Supervisors
Multi-scale Simulation of Enzyme Activity and Inhibition
Supervisors
The Synergy of Synthesis, Computation and NMR Spectroscopy to Design Conformationally Controlled α-Helix Mimetics
Supervisors
Publications
Recent publications
05/04/2024Cooperative Conformational Transitions Underpin the Activation Heat Capacity in the Temperature Dependence of Enzyme Catalysis
ACS Catalysis
Decrypting allostery in membrane-bound K-Ras4B using complementary in silico approaches based on unbiased molecular dynamics simulations
Journal of the American Chemical Society
Electric Fields Are a Key Determinant of Carbapenemase Activity in Class A β-Lactamases
Journal of the American Chemical Society
Epistasis Arises from Shifting the Rate-Limiting Step during Enzyme Evolution of a β-lactamase
Nature Catalysis
Fluctuation relations to calculate protein redox potentials from molecular dynamics simulations
Journal of Chemical Theory and Computation