Benchmarking residue-resolution protein coarse-grained models for simulations of biomolecular condensates
Fig 6
(A) Snapshot of a bulk NVT simulation with 200 A1-LCD (WT+NLS) protein replicas (each of them depicted by a different tone of colour) employed to compute the condensate viscosity. (B) Shear stress relaxation modulus (G(t)) for the WT+NLS sequence at 298 K evaluated by different models. (C) G(t) for different A1-LCD mutants using the Mpipi-Recharged model. In both B and C panels, G(t) raw data obtained during the simulations are represented by filled symbols, while Maxwell’s mode fits to the data (as described in Section 4.5) are plotted with solid lines. D, E, and F: Predicted versus in vitro viscosity (both reduced by the corresponding WT+NLS value) for all variants under study and the CALVADOS, Mpipi, and Mpipi-Recharged models respectively. The meaning of r, D, and the red dashed and black solid lines is the same as in Fig 5.