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engagement. In parallel, a new docking software, MDSPACEdock, will be developed to enable rapid docking of potential ligands across the full conformational ensemble obtained by MDSPACE, rather than a single
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used to obtain a detailed map of the conformational states of VCP/p97, induced by nucleotide binding and miniprotein engagement. In parallel, a new docking software, MDSPACEdock, will be developed
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Inria, the French national research institute for the digital sciences | Palaiseau, le de France | France | about 1 month ago
. These simulations are run on highly parallel supercomputers on which both the hardware and the software are optimized for the task at hand. While the computing power of each processing unit is still increasing, the
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with local cellular and molecular processes. The successful candidate will develop a multidisciplinary research program combining in vivo and in vitro approaches. Experimental work will involve advanced
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for the turbomachinery design optimization process conducted by a parallel PhD student at LMFA. The numerical solver involved is ProLB. It is an innovative Computational Fluid Dynamics (CFD) software solution developed
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(synchrotron-based), fluid inclusion analysis (FIA), Raman spectroscopy, ICP-MS, and isotope geochemistry. The results of this work, combined with those of parallel studies carried out within the GEOTHERBAMINE
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at the reservoir top exceeds the gas-entry pressure of the caprock matrix. In this case, the CO2 penetrates through the caprock via a drainage process (a non-wetting fluid displacing a wetting one). Which scenario
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setup will allow the exploration of global flow structures, large-scale recirculation, and the transition to the fully heterogeneous regime under realistic industrial conditions. In parallel, smaller
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details, the following tasks will be carried out in parallel: 1. The PhD student will extend the current database (see, J. Chem. Theory Comput.2025, 21, 8010−8033) by obtaining highly-accurate reference
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other labs will be developed for comparison with other techniques and computer IRIS Lab for analyses of the 3D mapping by IA models References [1] A. Kiełbasa, K. Kowalczyk, K. Chajec-Gierczak, J. Bała