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simulations. Two complementary strategies will be employed: structure-based virtual screening (docking simulations + molecular dynamics) and ligand-based virtual screening (machine learning models). We have
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detection by mass spectrometry, by combining molecular dynamics simulations and experiments (Figure 1).1-5 The present PhD thesis will investigate the effects of additional specific ions in fluid samples
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these insights with larger-scale soil and plant models. Perform molecular dynamics simulations to investigate interactions between soil organic matter (SOM), extracellular polymeric substances (EPS), water, and
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), the Jerzy Haber Institute in Krakow, Poland (Plin3 expression), and the University of Galway, Ireland (molecular dynamics simulations). Further information may be obtained from: ILL supervisors - Prof. D
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focus of their work is the role of protein dynamics and quantum mechanics during enzyme catalysis. Much of the work involves computational chemistry, often combing molecular dynamics (MD) simulations with
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(SustainCARE, https://doi.org/10.3030/101220359 ), led by Dr. Yun Liu. SustainCARE brings together heritage science, building physics, advanced modelling, and climate-conscious preservation, offering a unique
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, Ultra-cold gases, quantum optics, and quantum information , ultracold quantum gases , Ultrafast Molecular Dynamics , Ultrafast Physical Chemistry , Ultrafast Science , Unconventional and topological
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Proficiency in at least one programming language (Python, C++, …) Keen interest in neuroscience is essential Experience with modelling, analysis of complex dynamical systems, simulation, analysis of large-scale
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» Modelling tools Engineering » Control engineering Engineering » Simulation engineering Researcher Profile First Stage Researcher (R1) Positions PhD Positions Application Deadline 23 Mar 2026 - 23:59 (Europe
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, molecular dynamics, stochastic dynamics, Monte Carlo and analytical methods) and its thorough validation using advanced experimental techniques (such as mass spectrometry, electron microscopy, radiochemistry