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systems (LIED, Université Paris Cité), experts in classical atomistic simulations (molecular dynamics and coarse-graining, LMCE, CEA/DAM/DIF), as well as specialists in continuum simulations (finite element
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. The successful candidate will apply these tools to Yersinia and other bacterial species to investigate the molecular mechanisms behind adaptive responses. Yersinia serves as a key model due to its
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the construction of 3D models of protein complexes inserted in membranes to quantuim chemistry calculations, including classical molecular dynamics simulations. The major points that will be under scrutiny during
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model and biological membranes. The experimental data will be paired with results from molecular dynamics simulations to provide a complete characterization of the biophysical properties of the imaged
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Sehgal at the University of Pennsylvania, focuses on the genetic and molecular mechanisms underlying sleep and circadian rhythms. The lab uses a combination of model organisms, including Drosophila and
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Inria, the French national research institute for the digital sciences | Villers les Nancy, Lorraine | France | 15 days ago
(graph neural networks and transformers) The objective is to learn conformational heterogeneity directly from molecular dynamics simulations and to identify and predict allosteric communication pathways
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meetings to present and discuss the research outcomes. The HYDROUS project aims to advance green hydrogen production through electrocatalysis by developing novel molecular models to elucidate the fundamental
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at the molecular scale. Grand Canonical Monte Carlo (GCMC) simulations will be performed to predict adsorption isotherms and selectivities. Molecular dynamics simulations will be used to investigate diffusion
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of next-generation antimicrobial materials. The role will involve performing molecular dynamics simulations and computational modelling to investigate interactions between biomolecules, materials, and
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degradation or depolymerization Experience in bioinformatics, molecular modeling, or simulations Experience in experimental protein or enzyme characterization Track record of scientific publications and