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l'ENS, within a research environment specialized in soft matter, statistical physics, and fluid dynamics. The project will rely primarily on large-scale molecular dynamics simulations and theoretical
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Inria, the French national research institute for the digital sciences | Villers les Nancy, Lorraine | France | 16 days ago
macromolecular dynamics, as well as collaborations with the European MDDB initiative. The candidate will develop new graph transformer architectures to learn conformational heterogeneity from molecular dynamics
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microbial hosts and viruses, as well as their impact on GHG emissions. The project will rely on both molecular approaches to detect viruses and their microbial hosts, and analytical measurements of CO₂, CH
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from E. coli using molecular simulations to understand electron transfer between the second heme b and heme d [4]. To this end, we performed molecular dynamics simulations of the protein within a
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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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and to characterize interactions with fire regimes. Ultimately, these results will also contribute to a combined paleo-modeling approach at the core of the RETROPEST project (https://anr.fr/Projet-ANR
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-EM Single Particle Datasets Using 3D-to-2D Flexible Fitting based on Molecular Dynamics Simulation. J Mol Biol, 2023. 435(9): p. 167951.https://hal.science/hal-03929029 [3] Valimehr, S., et al
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release of encapsulated contents. These systems provide a relevant model to study dynamic compartmentalization and chemical communication.[5-6] In both cases, the objective is to understand how molecular
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. Through molecular engineering of these hosts, PhOLEDs performance have been significantly increase, with external quantum efficiencies now exceeding 35%. Our group, based at the Institut des Sciences