Phd Position

The department "Computational Molecular Medicine" follows an interdisciplinary and integrative approach, combining INM-9's theoretical expertise in protein modelling, simulation, free-energy calculations and in silico molecular investigations with practical approaches from the fields of experimental biochemistry and organic synthesis. These physics-based approaches are combined with machine learning methods in order to derive relationships and correlations between molecules on the basis of multi-omic data. Finally, the Computational Molecular Medicine department also contributes to INM-9's efforts to move to the systemic level. The goal is to relate events at the molecular level to real biological reactions. **Your Job**: Protein-protein interactions (PPIs) mediate a vast number of cellular pathways and processes, making them an important class of targets for drug discovery. However, decades of effort aimed at developing small molecule drugs to modulate PPIs have been rewarded with a relatively modest number of successes. The difficulty is thought to arise primarily from topology; The key issues of code scalability and the time scale problem will be addressed for the first time using a recently developed method that builds on metadynamics - an exact method to compute free energies - and the statistical mechanics of paths. Expected Results: - Investigation of the protein-protein interface energetic interaction for medically relevant dimers - A ML/MM - Potential model applicable to study protein-protein interfaces **Your Profile**: - University degree (Master) in physics, chemistry, applied mathematics or computer science - Experience with UNIX-like operating systems - Mathematical and programming skills (R, Python, Keras,Tensorflow) - Ideal prior knowledge on MD simulations and ML - Excellent knowledge of written and oral English: TOEFL or equivalent evidence of English-speaking skills - Interactive person with good communication skills - Used to work in international teams - Willing to travel in different labs during PhD **Our Offer**: We work on the very latest issues that impact our society and are offering you the chance to actively help in shaping the change We offer ideal conditions for you to complete your doctoral degree: - A highly motivated working group as well as an international and interdisciplinary working environment at one of Europe’s largest research establishments - Outstanding scientific and technical infrastructure - Opportunity to participate in (international) conferences and project meetings - Continuous scientific mentoring by your scientific advisor - Flexible work (location) arrangements, e.g. remote work - 30 days of annual leave and provision for days off between public holidays and weekends (e.g. between Christmas and New Year) - Targeted services for international employees, e.g. through our International Advisory Service