Projects

Project name Group
Adapting Computational Chemistry to Practical Reactions Computer-aided chemical design
Anion-templated framework materials Supramolecular chemistry
Anion-templated self–assembly Supramolecular chemistry
Antibiotic resistance and bacterial efflux pumps Biomolecular simulation and dynamics
Antifreeze proteins and glycoproteins Medicinal and biological chemistry
Assessing potential inhibitors against the NS2B-NS3 dengue virus protease Biomolecular NMR spectroscopy
Benchmarking of advanced scattering probes for materials characterization.
Characterising the effects of detergents on protein conformation Biomolecular simulation and dynamics
Controlling molecular weight and architecture in free-radical polymerization Computer-aided chemical design
Controlling stereochemistry in free-radical polymerization Computer-aided chemical design
Current Areas of Research Computer-aided chemical design
Current Research Activities Synthesis
Developing electrostatic catalysis for polymerization and synthesis Computer-aided chemical design
Development of novel anion recognition motifs Supramolecular chemistry
Discovering inhibitors against the penicillin-degrading enzyme IMP-1 Biomolecular NMR spectroscopy
Dynamic information from sparse experimental datasets Biomolecular simulation and dynamics
Evolving esterases and other hydrolytic enzymes for increased stability and activity. Protein crystallography & engineering
Evolving hemoglobins - enhanced growth of under conditions of limited oxygen Protein crystallography & engineering
Excitons, Trions and Biexcitons Mathematical & Theoretical Chemistry
Functional interlocked structures Supramolecular chemistry
Generalization of the Local Density Approximation Theoretical quantum chemistry
High throughput screening of dehydrogenases: applications for biotechnology Protein crystallography & engineering
In Dirac's Footsteps... Mathematical & Theoretical Chemistry
Linking quantum chemistry and chemical reactivity Computer-aided chemical design
Microrheology using Optical Tweezers Polymers & soft condensed matter
Mixed ramp-gaussian basis sets Theoretical quantum chemistry
Multi-dimensional NMR spectroscopy Biomolecular NMR spectroscopy
Non-equilibrium sampling in force spectroscopy of soft systems. Polymers & soft condensed matter
Overhauser Instability Theorem Mathematical & Theoretical Chemistry
Polymer Degradation and Stabilization Computer-aided chemical design
Quantum rings Mathematical & Theoretical Chemistry
Research Interests Physical Biochemistry of Disease
Single-determinant methods for electronic excited states Theoretical quantum chemistry
Statistical Thermodynamics of Rotaxanes Polymers & soft condensed matter
The role of cholesterol and lipid composition in drug / membrane interactions Biomolecular simulation and dynamics
Thermally reversible self-healing polymers Computer-aided chemical design
Understanding enzyme catalysis Computer-aided chemical design
Understanding the role of multidrug transporter in chemotherapy resistant cancer Biomolecular simulation and dynamics

Updated:  25 September 2017/Responsible Officer:  Director, RSC/Page Contact:  Web Admin, RSC