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
Functional dissection of the FFA-binding pocket of coronavirus spike protein
Principal Investigator
Managing organisational unit
School of ChemistryDates
01/10/2024 to 30/09/2027
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
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
Modelling the reactivity of zinc metalloenzymes and the SARS-CoV-2 main protease
Supervisors
Modelling the reactivity of glutamate mutase and heme dioxygenase enzymes
Supervisors
Multi-scale Simulation of Enzyme Activity and Inhibition
Supervisors
Molecular Modelling of Methyl Ester-Promoted Dimethyl Ether Formation from Methanol
Supervisors
Analysis of enzyme dynamics and calculation of activation heat capacity from simulation
Supervisors
Modelling the reactivity of cysteine targeting covalent inhibitors
Supervisors
Computational Design and Structural Characterization of de novo Heme Maquettes
Supervisors
Publications
Recent publications
10/04/2025Allosteric modulation by the fatty acid site in the glycosylated SARS-CoV-2 spike
eLife
Dynamic Behavior and Substrate Interactions of the Polymyxin Resistance Determinant MCR-1 Investigated by Molecular Dynamics Simulations in the Membrane Environment
Journal of Chemical Information and Modeling
Mechanistic Basis for Inhibition of the Extended Spectrum Class A β-Lactamase GES-1 by Tazobactam and Enmetazobactam
FEBS Letters
NanoVer Server
Journal of Open Source Software
Quantum Mechanics/Molecular Mechanics Simulations Distinguish Insulin-Regulated Aminopeptidase Substrate (Oxytocin) and Inhibitor (Angiotensin IV) and Reveal Determinants of Activity and Inhibition
Journal of Chemical Information and Modeling
Related people
Professor Jim Spencer
Professor of Bacteriology
School of Cellular and Molecular Medicine
Dr Marc Van der Kamp
Associate Professor in Computational Biochemistry
School of Biochemistry
Professor Christiane Berger-Schaffitzel
Professor of Biochemistry
School of Biochemistry
Dr Sofia Oliveira
Senior Research Fellow
School of Chemistry
Mr Michael Beer
Research Associate
School of Chemistry