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. 2011 Jan 7;2(3):158–164. doi: 10.1021/jz101462n

Figure 1.

Figure 1

The conformational dynamics of substrate-free P450cam projected into the principal component space {PC1,PC2} obtained from a PCA analysis of five X-ray crystal structures (green squares). The black circles represent the conformational space sampling afforded by a standard 25 ns classical MD simulation. The blue circles represent the conformational space sampling afforded by a standard 25 000 000 step AMD simulation. The red circles represent the conformational space sampling obtained from a 25 000 000 step Ad-AMD simulation. All simulations were initiated in the closed conformation located at {PC1,PC2} = {−25.82,−6.87}.