PhD student position: Enzymatic halogenation: enzyme identification, characterization, application

Applications are invited for a PhD student position in the Computational Pharmaceutical Chemistry & Molecular Bioinformatics group of Prof. Dr. Holger Gohlke (http://cpclab.uni-duesseldorf.de) at the Heinrich-Heine-University Düsseldorf, Germany.

CPCLAB - Gohlke Group
Our current research focusses on four main areas, for which we develop and apply techniques grounded in computational biophysical chemistry, molecular bioinformatics, and computational pharmaceutical chemistry:
  • Structure, Function, and Molecular Recognition Investigated by Molecular Dynamics Simulations
  • Rigidity Theory for Biomolecules
  • Structure Prediction by Comparative Modeling and Using (Co-)Evolutionary Information
  • Modulating Biomolecular Interactions

Aufgaben

Organohalogen moieties occur frequently in pharmaceuticals and agrochemical products as halogen insertion can improve compound properties, including bioactivity. However, traditional synthetic halogenation methods are complicated by a lack of specificity and regioselectivity and/or require toxic and environmental-harmful halogen sources. Therefore, methods for the facile, selective, and environmental-friendly installation of halogen-substituents are required.
This project addresses this demand within the realm of the Bioeconomy Science Center (BioSC, https://www.biosc.de/): It aims at identifying, characterizing, and utilizing novel halogenase enzymes from secondary metabolism of algae, that way introducing a novel strategy for exploiting natural resources towards halogenating enzymes and leading to the development of novel synthetic methods for the creation of new compounds with enhanced functions.
The PhD student will engage in structure prediction, active site characterization, halogenase classification, prediction of substrate scope and selectivity, and identification of suitable halogenases for a halogenase toolbox as well as in the prediction of halogenated, pyrazolidine-dione-based C4 plant-specific herbicides as an application.


The position is available as of 01.12.2019.

Qualifikationsprofil

Ideal candidates will have a record of excellence and a strong background in computational biochemistry, molecular informatics, and computationalstructural biology as well as a high interest in working in an interdisciplinary research field, and profound knowledge in state-of-the-art molecular dynamics simulations (Amber) software and molecular modeling.

Wir bieten

  • cutting-edge research in a variety of areas in biology and computation
  • a degree from the Heinrich-Heine-University Düsseldorf
  • excellent supervision
  • a flexible and challenging curriculum of scientific and transferable skills
  • the opportunity for travel to present your work


Bitte beziehen Sie sich bei Ihrer Bewerbung auf jobvector und geben Sie die folgende Referenznummer an: P6/19

Über Heinrich-Heine-University, Gohlke Group

Our current research focusses on four main areas, for which we develop and apply techniques grounded in computational biophysical chemistry, molecular bioinformatics, and computational pharmaceutical chemistry: Structure, Function, and Molecular Recognition Investigated by Molecular Dynamics Simulations Rigidity Theory for Biomolecules  Structure Prediction by Comparative Modeling...
Mehr über Heinrich-Heine-University, Gohlke Group