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DTSTART;TZID=Europe/Paris:20260911T110000
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DTSTAMP:20260827T154120Z
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UID:10000226-1789124400-1789128000@sfp-alpes.fr
SUMMARY:Alexander BRONSTEIN (Institute of Science & Technology\, Autriche)
DESCRIPTION:Experiment-guided generative models for protein structure and dynamics\nRésumé : \n\nProteins exist as a dynamic ensemble of multiple conformations\, and these motions are often crucial for their functions. However\, current structure prediction methods predominantly yield a single conformation\, overlooking the conformational heterogeneity revealed by diverse experimental modalities. I will present a framework for building experiment-grounded protein structure generative models that infer conformational ensembles consistent with measured experimental data. The key idea is to treat state-of-the-art protein structure predictors (e.g.\, AlphaFold3) as sequence-conditioned structural priors\, and cast ensemble modeling as posterior inference of protein structures given experimental measurements. Through extensive real-data experiments\, I will demonstrate the generality of our method to incorporate a variety of experimental measurements. In particular\, our framework uncovers previously unmodeled conformational heterogeneity from crystallographic densities\, and generates high-accuracy NMR ensembles orders of magnitude faster than the state-of-the-art and often better fitting the experimental data than the publicly deposited structures to the Protein Data Bank. I believe that this approach will unlock building predictive models that fully embrace experimentally observed conformational diversity.​\n_\n​\n\n\n\nLes séminaires et soutenances sont ouverts à tous\, notez toutefois que l’accès au campus EPN nécessite un avis de rendez-vous. Merci de remplir ce formulaire  et de l’adresser\, plus de 48h à l’avance\, à ce contact.\nPensez à vous munir d’une pièce d’identité le jour de votre visite.
URL:https://sfp-alpes.fr/event/alexander-bronstein-institute-of-science-technology-autriche/
LOCATION:IBS – Salle des séminaires\, IBS 71 avenue des Martyrs\, Grenoble\, 38042\, France
CATEGORIES:Séminaire
ORGANIZER;CN="IBS":MAILTO:ibs.seminaires@ibs.fr
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