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. Author manuscript; available in PMC: 2021 Nov 10.
Published in final edited form as: J Chem Theory Comput. 2020 Oct 13;16(11):6763–6775. doi: 10.1021/acs.jctc.0c00273

Figure 2:

Figure 2:

2D random energy landscape and distributions. A Potential energy in the domain (units of kBT at T = 300K) with source (A) and sink (B) states labeled, and weighted ensemble binning of the distance to the sink (black lines). B SS distribution −log pSS of the one-way feedback process from numerical solution of the Smoluchowski equation. C Transient distribution −log p(t) from WE simulation at roughly 1/50 of the SS relaxation time, t = 2.5ns (MFPT ~ 1.0μs). D haMSM estimated SS distribution −log pSS using WE simulation training set up to t = 2.5ns. 2D images from WE distributions have been smoothed with a 1 pixel gaussian kernel for visual clarity.