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computational predictions with experimental validation. At the computational stage, the candidate will establish molecular docking and molecular dynamics simulation workflows to predict receptor–ligand
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Datasets Using 3D-to-2D Flexible Fitting based on Molecular Dynamics Simulation. J Mol Biol. 2023;435:167951. https://hal.science/hal-03929029 [3] Valimehr S, Vuillemot R, Kazemi M, Jonic S, Rouiller I
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at CNRS in the Institute of Chemistry of Media and Materials of Poitiers (IC2MP - UMR CNRS 7285 - https://ic2mp.labo.univ-poitiers.fr/ ) in the Catalysis and Non-conventional media team, under
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Cryo-EM Single Particle Datasets Using 3D-to-2D Flexible Fitting based on Molecular Dynamics Simulation. J Mol Biol. 2023;435:167951. https://hal.science/hal-03929029 [3] Valimehr S, Vuillemot R, Kazemi
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position (Reference REQUIMTE 2026-30) is available at REQUIMTE, at the project BeTASTy – “New Molecular and Cell-based Approaches to assess Food Astringency and Bitterness” Grant Agreement 101040462 ERC-2021
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systems, biomolecular interfaces, and catalytic processes. The project will use molecular dynamics simulations to understand molecular mechanisms of metal-based antimicrobial systems and biomolecular
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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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Your Job: Healthy brain function relies on dynamic changes at the synapse. The relevant synaptic turnover and plasticity processes span spatial scales from the molecular up to the network level, and
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approach (CPlantBox) to mechanistically simulate plant growth, plant-soil interactions and the rhizosphere microbiome. You will contribute to model development and apply it to disentangle the role of root
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during sintering (temperature and current fields, resulting stresses, etc.). These fields will then be used as input conditions for Molecular Dynamics simulations in order to observe in situ atomic‑scale