Applications are invited for a Postdoc position available 1.5.2018 in the Computational
Pharmaceutical Chemistry & Molecular Bioinformatics group (Prof. Dr. Holger Gohlke;
http://cpclab.uni-duesseldorf.de) at the Heinrich Heine University Duesseldorf, Germany.

TOPIC: Computational biotechnology: Energetics and kinetics of substrate channeling
in enzyme cascades

Background: Multienzymatic cascade reactions, i.e., the combination of several enzymatic
transformations in concurrent onepot processes, offer considerable advantages: the demand
of time, costs and chemicals for product recovery may be reduced, reversible reactions can be
driven to completion and the concentration of harmful or unstable compounds can be kept to a
minimum. However, insufficient transfer of intermediates between the individual enzymes /
reaction steps has been recognized as a limiting factor.
In this project, the energetics and kinetics of substrate channeling in enzyme cascades will be
investigated by unbiased and biased molecular dynamics simulations. The aim is to gain
reliable predictions on how substrate access to the catalytically active centers in enzyme
cascades can be optimized by focused mutations and improved immobilization. In addition,
modeling and simulation approaches shall provide important clues for optimizing individual
cascade enzymes in terms of stability, substrate specificity, and / or stereoselectivity.
The project will be performed in the context of the CLIB (Cluster Industrial Biotechnology;
http://www.clib2021.de/) Center of Competence Biotechnology (CKB), which comprises
projects located at four Universities around Duesseldorf, addresses the megatrends resource
efficiency, crude materials, and health, and generates an integrated infrastructure for
bioeconomy in the state of North-Rhine Westphalia (see also here:
https://www.land.nrw/de/pressemitteilung/elf-projekte-zum-ausbau-vonforschungseinrichtungen-
nordrhein-westfalen-sollen-mit).

Requirements: Ideal candidates will have a record of excellence (PhD plus publications in
highly visible journals) and a strong background in computational (bio-)chemistry,
computational structural biological, molecular simulations, and molecular informatics as well
as a high interest in working in an interdisciplinary research field.

Detailed information about living and studying in Duesseldorf is provided here:
http://www.uni-duesseldorf.de/home/leben-in-duesseldorf.html

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.