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. Author manuscript; available in PMC: 2021 May 26.
Published in final edited form as: J Chem Inf Model. 2020 Mar 31;60(5):2470–2483. doi: 10.1021/acs.jcim.0c00087

Figure 1. Simulation-based methods for flexible fitting into cryo-EM maps.

Figure 1.

a) Flowchart representing the popular MDFF, cascade MDFF and resolution exchange MDFF methods; b) A series of Gaussian-blurred EM maps and the original unfiltered cryo-EM map used for cascade MDFF and resolution exchange MDFF. The maps illustrate the change in smoothness and level of detail of the resulting UEM potentials used for the intermediate stages of the fitting protocol.