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and/or experimental structural biology involving protein design, molecular dynamics simulation, single particle cryo-electron microscopy, x-ray crystallography, or single-molecule FRET. The Postdoctoral
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Assistant professor in Computational biology -machine learning for multimodal molecular biology data
use of machine learning for data analysis, mathematical modelling, statistics and computational simulation of molecular biological data. The subject specifically aims to develop and apply machine
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. The successful candidate will work in the field of atomistic-scale simulations under the direction of Dr. Adri van Duin. Job Duties: Develop ReaxFF parameter sets. Perform and analyze ReaxFF molecular dynamics and
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molecular dynamic simulations. Perform structural determinations using cryoEM with precision and accuracy. Responsibilities include systematic data collection, organization, and rigorous analysis to inform
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of Cellular and Molecular Medicine (https://icmm.ku.dk/english/ ). The working language in the CCS is English. Our group and research The Miller group (https://icmm.ku.dk/english/research-groups/miller-group
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independent motions. To shed light on the T4SS functioning mechanism, we will investigate the dynamics of T4SS, intrinsically disordered regions will be characterized using NMR spectroscopy in combination with
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the University of Luxemburg, is to develop reliable, efficient, and accurate machine learning force fields (MLFF) for molecular dynamics simulation of systems sizes ranging from ~1000 to 100.000 atoms while
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-scale computational approaches (molecular dynamics simulations, quantum chemistry, machine learning, etc) are applied to study the mechanistic aspects of biomolecules in great depth. The work is done in
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also collaborate extensively with theorists, combining our experimental results with quantum-chemical and/or molecular dynamics simulations, toward a comprehensive understanding of the fundamental bases
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simulations will reveal gaps in property predictions by Random Graph modeling and means to improve upon Random Graphs. You will develop and apply computational models (Monte Carlo and Molecular Dynamics) as