The DFG-funded international Research Training Group GRK2662 "Charging into the future: understanding the interaction of polyelectrolytes with biosystems" aims to gain a better understanding of the molecular interactions between polyelectrolytes such as DNA, proteins or heparin with complex biological systems. A special feature of the Research Training Group is the close, complementary cooperation between scientists from Freie Universität Berlin (Germany), McGill University, Montréal, and the University of British Columbia, Vancouver (Canada).
The international research training group GRK2662 offers
- Positions for research assistants with the possibility of a doctorate,
- structured academic training in an international research environment, including participation in a variety of research-specific and career-enhancing training courses and events,
- integration into an interdisciplinary international research network
- and the opportunity for research stays in the laboratories of the Canadian partner institutions.

Job description:
Inositol phosphates (e.g., phytic acid) are cellular messenger molecules characterized by their exceptionally high charge. The aim of project B3 under the supervision of Prof. Dr. Bettina Keller is to investigate how inositol and synthetically derived derivatives
- behave in aqueous solution,
- bind to proteins, and
- induce allosteric conformational changes in these proteins.
Using computer-based methods, the molecular mechanisms of these processes will be elucidated and evaluated in detail.
Planned Activities:
- Molecular Dynamics Simulations of biomolecular systems and application of enhanced sampling methods
- force Field Development and Parameterization: Selection, adaptation, and validation of suitable force fields for highly charged ligands and ions
- free Energy Perturbation Calculations
- use of High-Performance Computing Resources
- Continuous Documentation of all research findings in the form of lab notebooks, reports, and presentations; writing scientific publications in peer-reviewed journals

Further project information can be found at www.grk2662.de

Requirements:
Applicants must have an M.Sc. degree (or equivalent) in chemistry, physics, or a related natural science field and should fulfill the requirements for admission to the doctoral program of the Department of Biology, Chemistry, and Pharmacy at Freie Universität Berlin.

Desirable:
- Above-average study results (please include supporting documents, such as transcripts of records)
- specialization in theoretical or computational chemistry
- demonstrable knowledge of molecular modelling and simulation (e.g., through internships, research projects, or publications)
- solid experience in a programming language, preferably Python
- willingness to learn and apply additional software tools and programming languages within the scope of the project
- excellent English skills (spoken and written), required for scientific publications and international collaboration
- strong teamwork and communication skills in an interdisciplinary environment

We look forward to receiving your application, which should include the following documents:
- A one-page letter of motivation why you want to work in Project B3, together with details of previous research experience and future goals
- Your CV (including a list of publications if applicable),
- evidence of your academic achievements including copies of your Bachelor's and Master's degrees,
- at least two letters of support.

For further information, please contact Dr. Svenja Herziger (bewerbung@grk2662.de / +49-(0)30-83865340).