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To: jobs at ccl.net
Date: Tue May 24 02:31:49 2022
Subject: 22.05.23 1x PostDoc & 1x PhD pos., Comp. biochem./chem. or struct. bioinf., U of Duesseldorf, Gohlke group
Applications are invited for one Postdoc position available from 01.07.2022 and one PhD student position available from 01.10.2022 in the Computational Pharmaceutical
Chemistry & Molecular Bioinformatics group (Prof. Dr. Holger Gohlke; http://cpclab.uni-duesseldorf.de) at the Heinrich-Heine-University, Duesseldorf, Germany.
PostDoc position: Continuous, stable processes for the sustainable enzymatic production of chiral amino alcohols integrating downstream processing
Topic: In MetaProcess, we will use a multidisciplinary approach to generate stable carboligase and transaminase variants, able to withstand repetitive batch/continuous production
of amino alcohols, such as metaraminol and methoxamine, on a longer time scale. Rational design and directed evolution will be used to identify optimized variants, which will be
integrated into a comprehensive industrial workflow for chiral amino alcohol production. The developed platform will be evaluated through techno-economic analysis and a life cycle
assessment (LCA), identifying parameter sensitivities and evaluating sustainability and economic feasibility.
This project addresses this demand within the realm of the Bioeconomy Science Center (BioSC, https://www.biosc.de/), which integrates highly diverse research disciplines and
bundles high-level scientific expertise into a single integrative approach.
The Postdoc will engage in rational design to improve the molecular stability of the involved biocatalysts, assessing intramolecular and solvent effects and applying state-of-the-art
computational biophysical chemistry approaches such as rigidity theory to identify structural weak spots within the proteins. From the obtained molecular knowledge, new variants
will be proposed and integrated into the continuous reaction mode.
Availability: As of 01.07.2022.
Requirements: Ideal candidates will have a record of excellence (PhD in chemistry, biochemistry, biophysics, (structural) biology) and a strong background in computational
biochemistry/chemistry or structural bioinformatics, a high interest in working in interdisciplinary collaboration, and profound knowledge in state-of-the-art molecular modeling
(OpenEye, Schrdinger) and molecular dynamics simulations (Amber) software.
How to apply: Applicants should submit applications (a one-page letter of motivation why they are interested in the respective project and how they can contribute to the projects
success, a current CV, and contact data of three references) by email to gohlke ~~ uni-duesseldorf.de . Please provide all documents as one PDF file, specifying the position ID
2022D-1-1 in the email subject.
PhD student position: Integrative modeling using nisin as a model system to overcome lantibiotic resistance in bacterial pathogens
Topic: Nisin is a bactericidal peptide produced by certain Gram-positive bacteria, such as Lactococcus spp., the best-studied lantibiotic, and, as such, a model system to understand
and overcome lantibiotic resistance in bacterial pathogens. Lantibiotic resistance often occurs in human pathogenic bacterial strains (including Streptococcus agalactiae) that do not
produce nisin themselves. Resistance is mediated by the operon-encoded proteins NSR, a serine protease, NsrFP, an ABC transporter, and NsrRK, a two-component system. Furthermore,
to gain immunity against nisin, the producing Lactococcus spp. expresses, among other proteins, the ABC transporter NisFEG.
In previous work and applying integrative modeling in tight collaboration with experimental groups of the GRK, we succeeded in generating a model of the SaNSR/nisin complex,
identified the first small-molecule inhibitors of SaNSR by virtual screening and performed initial lead optimization, as well as characterized the nucleotide-binding domain SaNsrF.
In so far unpublished work, we generated structural models of SaNsrP and NisEG, using ab initio modeling, coevolutionary information, and experimental data, as a basis to scrutinize
their molecular functions.
The overarching goal of the upcoming PhD project is to overcome lantibiotic resistance, specifically nisin resistance, in bacterial pathogens by means of structural and mechanistic
approaches. Here, computer-assisted molecular modeling and simulation approaches performed in our group will be closely interlinked with biochemical/structural biological
(performed in the group of Prof. S. Smits) and medicinal chemistry (performed in the group of Prof. H. Stark) work, as has been successfully applied up to now. Specifically, we
will optimizesmall-molecule inhibitors of SaNSR and elucidate the molecular mechanisms of NsrFP and NisFEG.
Availability: As of 01.10.2022.
Requirements: Ideal candidates will have a record of excellence and a strong background in computational biochemistry/chemistry or structural bioinformatics, a high interest in
working in an interdisciplinary collaboration, and profound knowledge in state-of-the-art molecular dynamics simulations (Amber) software, molecular modeling (including protein-
ligand and protein-protein-complex structure predictions and evaluations), and medicinal chemistry.
How to apply: Applicants should submit application documents as listed here https://www.grk2158.hhu.de/positions-for-doctoral-students by email to gohlke ~~ uni-duesseldorf.de AND
grad2158 ~~ uni-duesseldorf.de, specifying the position ID 2022D-2-1 in the email subject.
Detailed information about living and studying in Duesseldorf is provided here: http://www.uni-duesseldorf.de/home/leben-in-duesseldorf.html
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