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Figure 5 | BMC Structural Biology

Figure 5

From: The redundancy of NMR restraints can be used to accelerate the unfolding behavior of an SH3 domain during molecular dynamics simulations

Figure 5

GBSA energy profiles per residues calculated on the MD trajectories based on the sets full (a,c) and reduced (b,d) of restraints and recorded on the WT (black), L28A (red) and L28P (green) sequences. (a,b) total GBSA energy, (c,d) van der Waals energy. The error-bar dimensions have been scaled by a factor 2 in order to put in evidence the differences observed in energy variability. The residue 28 is marked with an asterisk.

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BMC Structural Biology

ISSN: 1472-6807

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