Time Span 01 Oct 2023 for 3 years Application Deadline 15 Jan 2023 Financing yes Type of Position
Field of Research
Subjects Theoretical Biophysics Description Obtaining A Dynamic Picture of Biological Carbon Fixation by Computational Spectroscopy and Simulations
Biological carbon fixation converts CO2 to organic compounds that are key to the cellular metabolism. Given the central role of CO2 in global warming and a general interest in generating value-added chemicals from C1 compounds, carbon fixation represents an important concept in green and sustainable chemistry. In nature, this process can be accomplished by a complex of two metalloenzymes, carbon-monoxide dehydrogenase (CODH) and acetyl-CoA synthase (ACS). The key processes of CO2 reduction (CODH) and CO methylation (ACS) are catalyzed by two nickel-containing protein-embedded metal clusters. Reaction intermediates of these two clusters can be isolated, and vibrational spectroscopies, especially advanced nonlinear techniques, are valuable tools for studying their structural and dynamical properties. Computational modelling is necessary, though, to understand the information encoded in the spectroscopic data. Guided by two groups with expertise in advanced spectroscopy and biomolecular modelling, the successful candidate will utilize computational tools, including quantum-classical dynamics simulations, to comprehensively predict vibrational spectroscopic properties of CODH and ACS and understand the structure, dynamics, and mechanisms of these enzymes.
The project will be embedded in the Einstein Centre of Catalysis and co- supervised by Dr. Marius Horch (Freie Universität Berlin) and Prof. Maria Andrea Mroginski (Technical University Berlin). Application is via the EC2/BIG-NSE graduate school, and the application procedure is described here:
https: // www. ec2-big-nse.de/applications
The EC2/BIG-NSE graduate school funds 7 scholarships / positions. Funding for the offered PhD project is secured if the applicant is successful in the selection process of the graduate school. Please contact Marius Horch or Maria Andrea Mroginski before applying.
To the complete project proposal: https: // www. ec2-big- nse.de/fileadmin/documents/Projectproposals/WS23/6HorchMroginskiWebversion.pdf
Language of Dissertation
More Information https:// www. ec2-big- nse.de/fileadmin/documents/Projectproposals/WS23/6HorchMroginskiWebversion.pdf