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. Author manuscript; available in PMC: 2020 May 29.
Published in final edited form as: J Chem Theory Comput. 2020 Jan 30;16(2):1319–1332. doi: 10.1021/acs.jctc.9b01146

Figure 4.

Figure 4.

DPO4 folding in bulk and with repulsive crowders. (A) Heat capacity curves of DPO4. Inset shows the folding temperature Tf changes with different concentrations of repulsive crowders ΦC. (B) 1D free energy landscapes along Q(total) under with different concentrations of repulsive crowders at the folding temperature of bulk condition (Tfbulk). (C) The relative change of the differences in free energy (top), energy (middle), and entropy (bottom) for different folding states of DPO4 to that in bulk along with the different concentrations of repulsive crowders. (D–G) TCI for DPO4 folding with different concentrations of repulsive crowders. (H–K) Structural characterizations of the folding states during DPO4 folding process with different concentrations of repulsive crowders.