Skip to main content
. 2023 Aug 17;2(8):pgad269. doi: 10.1093/pnasnexus/pgad269

Table 1.

Simulations of all-atom lipid bilayers carried out in this work.

Composition Conventional MD sampling time (single replica), μs Multi-Map enhanced MD sampling time (replica count × time), μs
POPC 5.3 5.9 3.3 13×0.3 12×0.6 12×1.5
POPC/CHOL 8.9 9.1 3.4 13×0.7 14×0.7 13×1.5
DOPC 2.0 6.5 3.3 15×0.1 14×0.7 13×1.5
DOPC/CHOL 6.2 7.5 3.4 12×0.7 15×0.6 13×1.5
Number of lipids per unit cell 1800 800 200 1800 800 200

The calculations based on enhanced-sampling Multi-Map simulations entailed multiple replicas with increasing degrees of applied curvature, carried out in parallel.