ArticleBiophysical journal2026
Multiscale simulations of folded and intrinsically disordered region-containing protein condensates.
Article in Biophysical journal, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
What it found
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Who cites it
2 citing papers in PubMed.
- Stability and Dynamics of the N‑Terminal Domain of TDP-43 and the Effect of Point Mutations.ACS omega · 2026Article
- Stacked ensemble learning and in-silico profiling reveal dual DPP-IV and SGLT2 inhibitors from Moringa oleifera metabolites.Scientific reports · 2026Article
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Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
We present a multiscale simulation framework that integrates all-atom (AA) structure modeling, coarse-grained (CG) Martini 3 simulations, and AA backmapping to investigate supramolecular assembly behaviors of proteins implicated in misfolding diseases. As representative systems, we modeled the C-terminal domain of human TDP-43 (residues 274-414) and a broad region of white-tailed deer prion protein (PrP) (residues 24-233), both associated with misfolding-related pathologies and exhibiting distinct structural features. This AA-CG-AA framework enables the construction and analysis of large multiunit assemblies using two Martini 3-based CG parameter sets that differ in their treatment of nonbonded interactions, including electrostatic cutoffs and the scaling of interactions involving Na
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Registered trials
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