#40 · Structural bio & protein design
Composition and asymmetry tune condensate ageing, organization and electrostatics
The three preprints share a focus on how sequence composition and molecular context govern biomolecular condensate behavior, studied with molecular dynamics. Residue-resolved simulations of FUS show that RNA and heterotypic protein interactions tune LARKS contacts and cross-beta-sheet formation, which govern condensate ageing. A coarse-grained stickers-and-spacers model with directional sticker interactions reports that spacer heterogeneity boosts condensation while trading off against organization. A third study shows that molecular asymmetry in cation and anion affinities, together with chain-terminus placement, sets electric potential profiles within condensates. What is new is the explicit mapping of condensate properties, including ageing, organization and electrostatics, onto specific molecular features such as sequence asymmetry, spacer design and binding partners.
Preprints
Compositional control of FUS condensate ageing through aggregation-prone interaction networks
Residue-resolution MD simulations show RNA and heterotypic protein interactions tune LARKS contacts and cross-beta-sheet formation, governing FUS condensate…
Valency-Limited Molecular Dynamics Simulations of Stickers-and-Spacers Polymers Reveal a Tradeoff Between Condensation and Organization
Off-lattice coarse-grained stickers-and-spacers MD model with directional sticker interactions (GPU OpenABC) shows spacer heterogeneity boosts condensation but…
Sequence-dependent molecular asymmetry and architecture define electric potential profiles of biomolecular condensates
Shows molecular asymmetry in cation/anion affinities and chain-terminus placement sets electric potential profiles in biomolecular condensates, via…
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