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Open access Oct 2026

Autofocusing molecular simulations for integrative structural biology of broad conformational ensembles

Integrative structural biology seeks molecular descriptions consistent with complementary experimental measurements. A particular challenge arises for molecules whose broad conformational ensembles resist description by a few representative structures, such as natively unfolded proteins and fluid-phase biomembrane lipi...

H. Antila, Markus S. Miettinen · 0 citations
Preprint Sep 2026

Electrolyte density, diffusivity and conductivity in graphene nanoconfinement predicted by separating interfacial from genuine confinement effects

Confined aqueous electrolytes exhibit strong deviations from bulk behaviour, but it remains unclear which changes arise from genuine confinement-induced modification and which merely reflect the influence of interfaces. Here, we introduce an interfacial deficit-length framework, capable of decomposing density, diffusiv...

Hao-Yuan Quan, H. Antila, M. Becker et al. · 0 citations

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