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Sampling efficiency as a function of R2/R1 and R1.

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Figshare2016-09-28 更新2026-04-29 收录
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https://figshare.com/articles/dataset/Sampling_efficiency_as_a_function_of_R_sub_2_sub_R_sub_1_sub_and_R_sub_1_sub_/3934995
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The number of trajectories, the mean of R2, R1 and SE are calculated based on 180 trajectories in the backward MD and MD-MC simulations at 370K. Here, R2 is the sampling range in simulations, R1 is RMSD between the initial structure and the target structure, SE is the sampling efficiency of a simulation trajectory and the calculated values by Reva’s model are listed in following brackets.
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2016-09-28
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