Navigation and service

Advertising division: IAS-5 - Computational Biomedicine
Reference number: 2021M-011

Master thesis on the molecular dynamics simulations of intrinsically disordered proteins

A significant fraction of proteins do not possess a defined 3D structure and they can be rather described as ensembles of rather diverse conformations. Molecular simulations and, particularly, enhanced-sampling techniques can be of great help to understand the intricate relationship between their structural dynamics and their biological function. The Master’s project will be performed at the Institute of Neuroscience and Medicine at the Forschungszentrum Jülich, Germany. The Institute offers a highly cross-disciplinary environment due to its strong connection with the RWTH Aachen University, Germany. We have access to state-of-the art computing platforms, and collaborations with many experimental labs that provide the data needed to the constant validation of our software and research applications.

Your Task:
You will develop and use simulations tools to predict their conformational properties and their interactions with cellular or viral partners. Comparison will be made with mass spectrometry and spectroscopy measurements.

Your Profile:

  • Bachelor degree in Physics, Chemistry or related fields.
  • Knowledge of Density Functional Theory and/or Molecular Mechanics is a plus
  • Basic knowledge of Unix operating system is highly appreciated
  • Good spoken and written English

We offer:

  • Working in a motivated and highly interdisciplinary environment
  • Opportunities of being part of the national and international scientific community
  • Friendly working environment

Due to the ongoing pandemic all the work is currently performed remotely. Safety is of paramount importance for us. All necessary equipment (computers etc.) is provided. We are committed to equality and diversity and welcome applications from everyone! If you are interested, you are more than welcome to contact us by email including a motivation letter, a CV, and the exams transcripts.


Prof. Paolo Carloni,
Forschungszentrum Jülich GmbH,
Institute of Advanced Simulations & Institute of Neuroscience and Medicine (IAS-5/INM-9)
52425 Jülich