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. Author manuscript; available in PMC: 2011 Jul 29.
Published in final edited form as: J Phys Chem B. 2010 Jul 29;114(29):9663–9676. doi: 10.1021/jp102546s

Figure 6.

Figure 6

Superimposition of the MD-simulated molecular structures of APV, IDV, and SQV with the corresponding structures obtained from the CMS calculations. The superimposition was carried out on the backbone atoms of the protein. The structures obtained from the MD simulations are shown as colored sticks, whereas those from the CMS calculations are shown in deep blue. The color shown in the bottom bar refers to the magnitude of the RMSD.