PhD in molecular dynamics simulations of ion channels

About the LCSB

The University of Luxembourg is an international research university with a distinctly multilingual and interdisciplinary character.

The Luxembourg Centre for Systems Biomedicine (LCSB) is an interdisciplinary research centre of the University of Luxembourg.
We conduct fundamental and translational research in the field of Systems Biology and Biomedicine - in the lab, in the clinic and in silico. We focus on neurodegenerative processes and are especially interested in Alzheimer's and Parkinson's disease and their contributing factors. The LCSB recruits talented scientists from various disciplines: computer scientists, mathematicians, biologists, chemists, engineers, physicists and clinicians from more than 50 countries currently work at the LCSB. We excel because we are truly interdisciplinary, and together we contribute to science and society.

Your role

Successful candidate will join the Integrative Cell Signalling Group (https://www.uni.lu/lcsb-en/research-groups/integrative-cell-signalling/), led by Prof. Alexander Skupin, which focuses on multiscale analysis of brain disorders with a focus on Parkinson's and Alzheimer's disease, and epilepsy by combining experimental and computational approaches.

For a collaborative project within the Institute of Advanced Science (https://www.uni.lu/research-en/ias) between the Integrative Cell signalling group and the Theoretical Chemical Physics group (https://www.uni.lu/fstm-en/research-groups/theoretical-chemical-physics/) led by Prof. Alexandre Tkachenko at the Department of Physics and Material Science, we are looking for a PhD candidate to perform molecular dynamics simulations of different genetic variants of the sodium channel Nav1.1, which are associated with different forms of epileptic syndromes and migraine. The aim of the project is to use machine-learning assisted molecular dynamics simulations incorporating quantum effects for the identification of new variant-specific drug targets which will be validated experimentally and thereby pave the way for precision pharmacology.

Your responsibilities:

• Perform research at the interface between biophysics, biomedicine, and computer science
• Simulate molecular dynamics of ion channels
• Predict variant-specific protein structures using AlphaFold
• Co-develop machine-learning approaches to incorporate quantum effects in molecular dynamics simulation
• Predict variant-specific drug candidates and validate them by simulations
• Participate as a team member in discussions for validation approaches
• Become an active memberwithin the Institute of Advanced Science at the University of Luxembourg in which the project is hosted

For further information, please contact Prof. Alexander Skupin (email address: ).

Your profile

• Master's degree or equivalent in biophysics, physics, computer science, pharmacology, biomedicine or related fields
• Demonstrated expertise in computational modelling
• Experience with molecular dynamics
• Interest in interdisciplinary science
• Experience in working on High-Performance Computing (HPC) environment and/or in pharmacology is an advantage
• Excellent capacity to work with others in a collaborative environment

We offer

• Multilingual and international character. Modern institution with a personal atmosphere. Staff coming from 90 countries. Member of the "University of the Greater Region" (UniGR)
• A modern and dynamic university. High-quality equipment. Close ties to the business world and to the Luxembourg labour market. A unique urban site with excellent infrastructure
• A partner for society and industry. Cooperation with European institutions, innovative companies, the Financial Centre and with numerous non-academic partners such as ministries, local governments, associations, NGOs …

How to apply

Applications in English should include:

• Curriculum Vitae
• Cover letter
• Contact information and recommendation letters from at least 2 referees

Early application is highly encouraged, as the applications will be processed upon reception. To ensure full consideration, please apply by 31 May 2025 ONLINE formally through the HR system. Applications by Email will not be considered.

All qualified individuals are encouraged to apply. In line with our values, the University of Luxembourg promotes an inclusive culture. We encourage applications from individuals of all backgrounds and are dedicated to upholding equality and respect for our employees and students.

General information:

• Contract Type: Fixed Term Contract 36 Month
• Work Hours: Full Time 40.0 Hours per Week
• Location: Campus Belval
• Internal Title: Doctoral Researcher
• Job Reference: UOL07274

The yearly gross salary for every PhD at the UL is EUR 40952 (full time).