in the Department of Computational Chemistry at J. Heyrovský Institute of Physical Chemistry in Prague, Czech Academy of Sciences.
With the support from the Czech Grant Agency, Dr. Martin Srnec offers one postdoctoral fellowship for 2019-2020 for the project “Radical catalysis of enzymatic and biomimetic polynuclear transition-metal active sites“. In this project, we mostly focus on various aspects of SAM-radical enzymatic catalysis using an arsenal of theoretical methods combined with available experimental data:
Investigation of geometric and electronic properties of a key organometallic intermediate in SAM-radical enzymes denoted as and elucidation of its role in catalytic cycle
H-atom abstraction (proton-coupled electron transfer) as a key step in substrate activation for its subsequent chemical transformation. We will apply and extend a theory recently developed by us (PNAS 2018) to understand all key physico-chemical contributions to H-atom abstraction reactivity/selectivity and their effects on subsequent chemical transformation.
Mobility of radicals in enzymatic catalysis.
The candidate should be highly motivated, self-driven and passionate about science and hold a PhD degree (preferably) in theoretical (physical) chemistry (or chemical physics). An experience with application of quantum-chemical methods (including multireference ab initio and QM/MM methods) to bioinorganic and metalloenzymatic complexes, their spectroscopic and catalytic properties is desirable. Good communication and collaborative spirit and fluency in spoken and written English is required.
The competitive salary is offered and will be based on the candidate`s qualifications and experience. Start date is as soon as possible (or upon agreement). The position is not associated with any teaching obligations.
Please send application (including CV, publications, short statement of research background/interests and if possible the contact information of a reference/references) by email to Dr. Martin Srnec at email@example.com. To obtain further information about the position please contact Dr. Martin Srnec.
1/ Srnec, M; Wong, S. D.; England, J.; Que Jr.; L.; Solomon, E. I. Proc. Nat. Acad. Sci. USA, 2012, 109, 14326-14331.
2/ Wong, S. D., Srnec, M.; Solomon, E. I et al. Nature 2013, 499, 320-323.
3/ Bím, D.; Rulíšek, L.; Srnec, M. J. Phys. Chem. Lett. 2016, 7, 7-13.
4/ Bím, D.; Maldonado-Dominguez, M.; Rulíšek, L.; Srnec, M. Proc. Nat. Acad. Sci. USA, 2018, 115, E10287-E10294.
14. 1. 2018 RNDr. Martin Srnec, PhD.