Method to Predict Crowding Effects by Postprocessing Molecular Dynamics Trajectories: Application to the Flap Dynamics of HIV-1 Protease.

The variation of p o among the repeat simulations at each Φ is relatively large, but the average p o clearly shows a decreasing trend with increasing Φ, changing from 0.20 ± 0.02 at Φ = 0.061 to 0.15 ± 0.02 at Φ = 0.490.

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