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. Using all-atom molecular dynamics simulations and enhanced sampling techniques, the project will investigate how S-glutathionylation modulates nucleosome structure and dynamics, alone and in combination
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IT4Innovations National Supercomputing Center, VSB - Technical University of Ostrava | Czech | 25 days ago
investigations focused on spin dynamics, · Perform numerical simulations to study: - ultrafast magnetization phenomena, - interactions with surface acoustic waves, - propagation of sound waves in the presence of a
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) protein dynamics; 2) molecular dynamics simulations; and 3) high-performance computing environments. Prior programming experience is preferred but not required. The postdoctoral scientist will design
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IT4Innovations National Supercomputing Center, VSB - Technical University of Ostrava | Czech | 28 days ago
investigations focused on spin dynamics, · Perform numerical simulations to study: - ultrafast magnetization phenomena, - interactions with surface acoustic waves, - propagation of sound waves in the presence of a
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identified around: theorists in quantum chemistry and molecular and reaction dynamics, organic synthesis chemists, physico-chemical experimenters (spectroscopy, photochemistry, molecular recognition and
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materials modeling and mechanics, including molecular simulations, multiscale modeling, and/or machine‑learning‑based materials design Demonstrated publication record in peer‑reviewed journals relevant
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, Rouiller I (AUS), Jonic S (FR). MDSPACE: Extracting Continuous Conformational Landscapes from Cryo-EM Single Particle Datasets Using 3D-to-2D Flexible Fitting based on Molecular Dynamics Simulation. J Mol
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modalities like spatial proteomics and/or single-cell RNAseq. Once trained, those models will allow us to (1) understand the principles of molecular communication to self-organize cells in tissue, and (2
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The University of North Carolina at Chapel Hill | Chapel Hill, North Carolina | United States | about 1 month ago
looking for a highly motivated Postdoctoral fellow to work on accelerated molecular simulations and AI-driven drug discovery. Research projects in the Miao Lab include development of novel theoretical and
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IT4Innovations National Supercomputing Center, VSB - Technical University of Ostrava | Czech | 25 days ago
No. 24-11388I - Magneto-elasticity of non-cubic materials in spin-lattice dynamic simulations. Activity description: · conduct scientific investigations in two primary research directions: - development