Sampling efficiency as a function of R2/R1 and R1.
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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.
创建时间:
2016-09-28



