Following my undergraduate studies of Molecular Science I received my PhD in Computational Chemistry from the University of Erlangen-Nuernberg, Germany in 2010. I then worked as a Postdoc for the Cluster of Excellence Engineering Advanced Materials (EAM) until 2014, when I joined the Biorenewables and Bioprocessing Research Group in in the Faculty of Engineering of the University of Nottingham.
My research experience includes Molecular Dynamics simulations, semi-empirical Molecular Orbital Theory, DFT and ab initio methods and force field development. Past projects involved multi-disciplinary research in the areas of bio-organic, colloid, and radical chemistry, molecular self-assembly, ion effects, and molecular electronics in organic electronic devices.
In Nottingham my research focuses on the development and application of efficient computational approaches for their use in enzyme driven biotechnology in order to discover sustainable routes for manufacturing fine chemicals and novel antibiotic drugs
Dr Christof Jaeger is part of the Bioprocess, Environmental and Chemical Technologies Research Group.
I develop computational strategies to promote enzymes for biotechnological applications in order to contribute to the urgent need for new enzymes and advances in biotechnology. In particular I am… read more
JESSICA BAME, CASPER HOECK, MATTHEW J. CARRINGTON, CRAIG P. BUTTS, CHRISTOF M. JAEGER and ANNA K. CROFT, 2018. Improved NOE fitting for Flexible Molecules Based on Molecular Mechanics Data - a case study with S-Adenosylmethionine Physical Chemistry Chemical Physics. 20, 7523-7531 BAME, J., HOECK, C., CARRINGTON, M. J., BUTTS, C. P., JÄGER, C. M. and CROFT, A. K., 2018. Improved NOE fitting for flexible molecules based on molecular mechanics data-a case study with: S -adenosylmethionine: Physical Chemistry Chemical Physics Physical Chemistry Chemical Physics. 20(11), 7523-7531
LEITHERER, S., JAEGER, C. M., KRAUSE, A., HALIK, M., CLARK, T. and THOSS, M., 2017. Simulation of charge transport in organic semiconductors: A time-dependent multiscale method based on nonequilibrium Green's functions Phys. Rev. Materials. 1, 064601
Find me online: Personal homepage
My ORCID profile : http://orcid.org/0000-0002-1802-1892
Add me to your Researchgate network: https://www.researchgate.net/profile/Christof_Jaeger
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My Publons profile as reviewer http://publons.com/a/1216630/
find additional research related data on figshare: https://figshare.com/authors/Christof_Jaeger/3340812
Talks and invited lectures:
15/09/2017 5th Annual CCP-BioSim Conference, Southampton, UK.
05/09/2017 European Symposium on Organic Reactivity (ESOR), Durham, UK.
20/08/2017 254th Annual National Meeting of the American Chemical Society (ACS), Washington, D.C., US.
18/08/2017 Montana State University, Bozeman, Montana, US.
16/08/2017 University of Salt Lake City, Utah, US.
03/07/2017 2nd International Conference on Hydrogen Atom Transfer (iCHAT 2017), Rome, Italy.
28/06/2017 Ruđer Bošković Institute, Zagreb, Croatia.
28/03/2017 31st Molecular Modelling Workshop 2017, Erlangen, Germany.
30/08/2016 Mipomat Workshop Innovative Surfaces and Materials, Primosten, Croatia.
05/07/2016 IUPAC Conference on Physical Organic Chemistry 23 (ICPOC), Sydney, Australia.
21/06/2016 RSC Computational Chemistry Group Conference, Nottingham, UK.
I develop computational strategies to promote enzymes for biotechnological applications in order to contribute to the urgent need for new enzymes and advances in biotechnology. In particular I am working on so called "radical enzymes", which harness free radical chemistry in their catalysis for the synthesis of a very broad spectrum of valuable chemicals.
The need for improved biotechnology is based on the fact that our modern world, lifestyle and health, with all their benefits, are strongly dependent on fossil resources. This includes the manufacture of plastics, medicinal devices, cosmetics, medicines (including antibiotics), and a wide set of fine chemicals.
Bearing in mind that petroleum is a vanishing resource it becomes clear that we need new, sustainable routes for the manufacture of chemicals in order to mitigate against emerging problems of both oil supply security and environmental change.
Biotechnological processes using "radical enzymes" offer opportunities to combine sustainable chemistry approaches with the high potential of free radicals - chemical intermediates which are difficult to control in industrial processes, but which nature has been able to harness to produce valuable materials, including antibiotics, anticancer, and antiviral drugs.
I aim to deliver a novel strategy for efficient and transferable computational modelling of radical enzymes to disclose structural dynamic features and variations and the functional catalytic mechanisms of the enzymes. This information will then be transferred into propositions for possible mutations to deliver enzyme variations with the goal to reach a broader substrate range, new chemical products and/or higher efficiencies, finally to be adopted into industrial biotechnological synthesis routes