52 molecular-modeling-or-molecular-dynamic-simulation "https:" Postdoctoral positions
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on simulating nanoalloy structures to create a database for materials characterization. The main tasks include running molecular dynamics and Monte Carlo simulations to model nanoalloys under various
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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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of configurations generated in silico as well as their thermodynamic, dynamic (phonon), and mechanical properties, and performing DFT/MLIP NpT and NVT molecular dynamics simulations. - Analyzing and exploiting
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technology. Development of cutting edge foundation models for protein design, small molecule property prediction, or protein function prediction Data generation and curation, including molecular simulation and
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Engineering, Computer Science, or a related field. Accompanying Knowledge, Skills, Abilities and Competencies Excellent abilities in molecular modeling and simulations (molecular dynamics or Monte Carlo
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theoretical and computational soft-matter physics and biophysics. The successful candidate will work primarily with Dr. Matej Kanduč on research topics related to molecular dynamics (MD) simulations
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, the primary unit of chromatin, using classical all-atom molecular dynamics simulations. The nucleosome is composed of a double-stranded DNA fragment wrapped around a protein core consisting of eight histones
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to the subject area. Applicants must have documented research experience in molecular genetic approaches, fluorescence microscopy, mammalian cell culture, and intracellular infection models. Experience in
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Join us to pioneer next-generation generative models that accelerate molecular dynamics. We seek a postdoctoral researcher to develop AI surrogates for molecular dynamics (MD), slashing
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optimization code used, particularly for automated transition state searches. • Perform molecular dynamics simulations to estimate thermodynamic/macroscopic properties. IPREM brings together over 300 staff