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. 2019 Jan 31;15(3):2087–2100. doi: 10.1021/acs.jctc.8b01033

Figure 3.

Figure 3

Flowchart depicting the parametrization strategy used to construct each of the coarse-grained lipid models, which rely on two variational methods: multiscale coarse-graining (MS-CG) and relative entropy minimization (REM). The right block shows the REM optimization subprocedure based on Newton–Raphson minimization, in which a two-part strategy is adopted: initially, stochastically chosen subsets of parameters are refined for each iteration, followed by refinement of all parameters at each iteration.