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. 2022 Aug 3;122(18):14085–14179. doi: 10.1021/acs.chemrev.1c00757

Figure 29.

Figure 29

Overview of enhanced sampling methods: (A) replica-exchange MD simulation, (B) accelerated MD, (C) metadynamics or adaptive biasing force, and (D) Markov state model. Reprinted with permission from ref (624). Copyright 2020 Multidisciplinary Digital Publishing Institute.