PhD in molecular dynamics simulations of ion channels

University of Luxembourg, Luxembourg

Updated: about 10 hours ago
Deadline: ;

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: alexander.skupin@uni.lu ).


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