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motivated and highly ambitious scientist with the following qualifications: PhD in molecular biology and/or stem cell biology and hematopoiesis. Expertise in molecular biology techniques, mouse models
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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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, or machine learning-based methods) to study the mechanistic regulation of physiological systems. Areas of interest include, but are not limited to, neural circuit dynamics, sensorimotor systems
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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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macromolecular dynamics with machine learning, statistical mechanics, molecular simulations, and experimental data. The joint project “FAIME – Flexible and Efficient AI-driven Molecular Simulation Engine” is part
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measure their mechanical, adhesive and frictional properties. By combining these data with classical molecular dynamics simulations and a molecular-scale approach to the thermodynamics of molecular
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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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collaboration with the Ahn lab, we carried out molecular dynamics (MD) simulations of inactive and active states of ERK2, each extended out to 360 µs of total sampling [3,4]. The findings revealed differential
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therapeutic strategies. - DNA-protéines complexes modeling - Molecular dynamics simulations of biomolecules - Enhanced sampling techniques (Steered MD, Gaussian Accelerated MD) - HPC resources use - Scientific
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IT4Innovations National Supercomputing Center, VSB - Technical University of Ostrava | Czech | 25 days ago
) at the IT4Innovations, in the Material Design group of Dr. Dominik Legut within the Modeling of Nanotechnology Lab, is open to applicants for the SPIN DYNAMICAL CALCULATIONS of the topics of Czech Science Foundation’s