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of the Institute of Pharmacology and Structural Biology (IPBS-Toulouse) is the identification, characterization, and exploitation of new therapeutic targets in the fields of cancer, infection, and inflammation
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for enzymatic reactions. A key step in using MLIP for reactivity is having a training set that includes structures of reactant, product and transition state: this construction can be achieved through an active
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through chemical analyses (ICP-AES and ICP-MS), physicochemical analyses (DLS, zeta potential), structural analyses (XRD, XANES, EXAFS), X-ray imaging (2D and 3D), microbial community analyses, and
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(parameters, data, structure) and produce uncertainty intervals for key outputs (abundance, biting rate); - Conduct temporal and spatial validation; leave-area-out validation; inter-city transferability tests