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SUMMARY:Bridging in situ Structural Biology and Multiscale Modelling: Mapp
 ing Human Chromatin 3D Architecture and Condensate Material States in Inta
 ct Cells
DTSTART:20260507T100000Z
DTEND:20260507T110000Z
DTSTAMP:20260519T165600Z
UID:indico-event-1731@indico.cells.es
DESCRIPTION:Speakers: Sergio Cruz-León (Max Planck Institute of Biophysic
 s\, Frankfurt am Main\, Germany)\n\nAbstractCells are densely packed with 
 molecular machines whose structure\, localization\, and dynamics shape cel
 lular function. Cryo-electron tomography (cryoET) captures 3D snapshots of
  intact cells at near molecular resolution. However\, extracting reliable 
 molecular identities and interactions from tomographic data remains challe
 nging.In this talk\, I will present how we combine high-confidence 3D temp
 late matching (hcTM) [1]\, a robust computational method for in situ featu
 re detection\, with multiscale molecular simulations to identify\, model\,
  and simulate subcellular environments directly from cryoET data [1-3]. Th
 is approach enables the localization of diverse complexes\, including nucl
 ear pores\, HIV building blocks\, vaults\, ribosomes\, proteasomes\, lipid
  membranes\, and cytoskeletal elements inside crowded eukaryotic cells. Co
 mbined with machine learning\, hcTM also resolves subunits and functional 
 states in situ. The resulting spatial maps form the basis for building sim
 ulation-ready models of subcellular environments. We applied this framewor
 k to study molecular transport [1]\, viral nuclear entry [2]\, chromatin o
 rganization [3]\, and the biophysical properties of biomolecular condensat
 es inside cells [4].By bridging experimental imaging and simulation\, this
  integrative strategy advances in situ structural modeling across scales a
 nd opens new avenues for visual proteomics and the mechanistic understandi
 ng of cellular functions in their native context.[1] Cruz-León\, et al.\,
  Nat. Comm.\, 2024[2] Kreysing*\, Heidari*\, Zila*\, et al.\, Cell\, 2025[
 3] Kreysing*\, Cruz-León*\, Betz*\, et al.\, BioRxiv\, 2025[4] Boyle*\, C
 ruz-León*\, Lizarrondo*\, Brenner*\, et al\, BioRxiv\, 2026\n\nhttps://in
 dico.cells.es/event/1731/
LOCATION:Maxwell Auditorium (ALBA Synchrotron)
URL:https://indico.cells.es/event/1731/
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