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detection by mass spectrometry, by combining molecular dynamics simulations and experiments (Figure 1).1-5 The present PhD thesis will investigate the effects of additional specific ions in fluid samples
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Inria, the French national research institute for the digital sciences | Villers les Nancy, Lorraine | France | 11 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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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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16 Apr 2026 Job Information Organisation/Company CNRS Department Institut de Chimie des Milieux et Matériaux de Poitiers Research Field Chemistry Chemistry » Computational chemistry Researcher Profile First Stage Researcher (R1) Application Deadline 6 May 2026 - 23:59 (UTC) Country France Type...
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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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, whilst interacting with a wider, interdisciplinary team within the GEOSIC project. Collaborations within the GEOSIC project are foreseen, with a postdoc in international law who will lead the development
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programme Is the Job related to staff position within a Research Infrastructure? No Offer Description Wind tunnel study of inertial particle dynamics in homogeneous and sheared turbulent flows Supervision
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interfaces: "Chemistry/Health", "Chemistry/Molecular Photonics" and "Chemistry/Environment", which ensure the dynamics of cross-disciplinary cohesion. The post-doctoral fellow will work in the CORAIL team
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simulations. Two complementary strategies will be employed: structure-based virtual screening (docking simulations + molecular dynamics) and ligand-based virtual screening (machine learning models). We have
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-heterocyclic carbenes (NHCs) revolutionized the fields of organometallic and organic catalysis. Now, it is non-NHC carbenes that are opening exciting new avenues. , These species, true "molecular Swiss Army