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The model provides a computationally efficient framework for studying conformational ensembles and assembly of proteins at bilayer–water interfaces and is validated against Wimley–White free energies of transfer of hydrophobic peptides and against an experimentally refined conformational ensemble of a flexible membrane receptor.
A set of coarse-grained two-bead-per-nucleotide models for simulations of double-stranded RNA and DNA in the CALVADOS framework are presented and it is envisioned that the CALVADOS models for double-stranded RNA and DNA will be useful for studying co-condensates of proteins and structured nucleic acids.
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