Fig. 2: SBCG2 heteromultimeric cofilin-2 on actin filaments.
From: Performance efficient macromolecular mechanics via sub-nanometer shape based coarse graining
a Left, atomistic surface representation of globular actin (white) bound to cofilin-2 (red). Right, corresponding SBCG2 representations of actin and cofilin-2, are shown superimposed with the atomistic molecular surfaces. b A single turn of the SBCG2 cofilin-2-bound actin filament, shown from two perspectives. One turn corresponds to a length of 31 nm. c The SBCG2 cofilin-2-bound actin filament is superimposed with the atomistic molecular surface, shown transparently. The shape of the atomistic filament is perfectly represented by the coarse model. d NAMD3 GPU benchmarks, utilizing NVIDIA V100s with PME on. e NAMD3 GPU benchmarks, utilizing NVIDIA V100s, with PME off. For panels d and e, we performed benchmark simulations with 3-, 9-, and 54-turn filaments to assess load-balancing and scaling with respect to system size. A legend is provided on the right. Benchmarks reported are the mean value of the six benchmark metrics reported by NAMD345 for each simulation.
