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RAP opportunity at National Institute of Standards and Technology NIST Models and Protocols for Accelerated Simulations of Molecular Interactions and Dynamics Location Information Technology
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applications. This position is within AI Models group based in Leuven, Belgium At imec, we are strengthening our AI Models team to build expertise in hybrid simulation approaches (Molecular dynamics and Machine
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chemistry and molecular simulation methods to investigate the determinants of enzyme dynamics, activity and inhibition. This project uses molecular simulations to investigate how enzymes function, how
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of computational chemistry and molecular simulation methods to investigate the determinants of enzyme dynamics, activity and inhibition. This project uses molecular simulations to investigate how enzymes function
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macromolecular dynamics with statistical mechanics, molecular simulation at different resolutions, machine learning, and experimental data. Our group works on the definition and implementation of strategies
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enhancement methods to be coupled to model-free analysis of molecular dynamics simulations. This includes work in the biochemical wet-lab as well as with prototype NMR spectroscopy and computational tasks. You
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biology, computational biology, applied mathematics, or a related field. Documented experience (publications, preprints, code) in molecular dynamics simulations, including enhanced sampling techniques
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Mediterranean Institute of Oceanography | Marseille, Provence Alpes Cote d Azur | France | about 23 hours ago
the cryosphere. The student will perform controlled freeze-thaw experiments on environmental samples to simulate natural stress conditions. Microbial activity will be assessed using a range of techniques
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of computational chemistry and molecular simulation methods to design, model and investigate protein dynamics and activity. This project uses molecular simulations to investigate protein structure, dynamics
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multiscale simulation framework will be employed, ranging from atomicscale molecular dynamics (bonding, diffusion, interfacial interactions), to mesoscale coarse-grained modelling (phase separation, self