Fig. 1: Final snapshots for the BBPs after 500 ns simulation run. | npj Computational Materials

Fig. 1: Final snapshots for the BBPs after 500 ns simulation run.

From: Coarse-grained molecular dynamics integrated with convolutional neural network for comparing shapes of temperature sensitive bottlebrushes

Fig. 1

a Abruptly changing, b Gradually changing and c Worm-like BBPs studied after 500 ns simulation run. Abruptly changing BBPs include: a-i Cake, a-ii Dumbbell and a-iii Plus-like BBPs. Gradually changing BBPs include: b-i Cone, b-ii Hourglass and b-iii Diamond-like BBPs. Simulations at 300 K are presented with a blue BBP backbone and those at 320 K are presented with a red BBP backbone. PNIPAM side chains are represented in yellow with CG beads AMP and ISP hidden to provide a relatively simpler representation of the structures.

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