|Salary:||£37,099 to £41,732 per annum, Grade I / Pathway 2|
|Placed On:||4th October 2023|
|Closes:||1st November 2023|
A postdoctoral research position is available in the group of Prof. Adrian Mulholland as part of the European Research Council (ERC) Advanced Project PREDACTED (Predictive computational models for Enzyme Dynamics, Antimicrobial resistance, Catalysis and Thermoadaptation for Evolution and Design, https://cordis.europa.eu/project/id/101021207). This project involves the application of computational chemistry and molecular simulation methods to investigate enzyme catalytic mechanisms. This project uses molecular simulations to investigate how enzymes function, how they achieve their catalytic power, how they are inhibited (including allosteric inhibition and regulation), how they adapt to different environmental conditions and how they evolve (e.g. to develop new activities). Researchers will develop simulation models that can predict enzyme dynamics and the changes associated with catalysis. Results will help design improved artificial enzymes and address key challenges associated with the use of enzymes, such as antibiotic resistance. This project is based in the Centre for Computational Chemistry, School of Chemistry, University of Bristol. The School of Chemistry is ranked first in the UK in the latest Research Excellence Framework (Times Higher Education analysis of REF2021).
What will you be doing?
You will apply molecular simulation methods to model enzyme-catalysed reaction mechanisms and protein dynamics. You will build models of enzyme complexes and test effects of physical conditions. You will apply multiscale methods to model reactions in enzymes, and identify mechanisms. You will compare binding and reaction of different substrates. You will model reaction intermediates and simulate effects of protein dynamics on reaction. You will compare the results with theoretical pedictions to test models and theories of enzyme catalysis and evolution. You will analyse effects of mutations, contribute to protein and inhibitor design and to the interpretation of experimental data. You will work closely with experimental biochemists and structural biologists in engineering proteins and in designing and interpreting experiments.
You should apply if
You are a highly motivated computational molecular scientist looking to take the next step in your research career by joining a leading research group, and to collaborate closely with experiments. This position would suit a skilled researcher with a PhD in Chemistry, Biochemistry or related field and expertise in computational chemistry. Experience of molecular dynamics simulations, multiscale simulation, protein design, and/or modelling enzyme catalytic mechanisms would be useful. This project will provide excellent experience of simulation methods and advanced computing, and the opportunity to work closely with experimental groups on cutting edge problems in enzyme catalysis, design and evolution relevant to health, biomedical science and catalysis.
For informal queries, contact details: Prof. Adrian Mulholland, Adrian.Mulholland@bristol.ac.uk
The anticipated interview date is Tuesday 14th November 2023
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