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. Author manuscript; available in PMC: 2013 Oct 13.

Published in final edited form as: J Mol Graph Model. 2012 Oct 13;38:430–445. doi: 10.1016/j.jmgm.2012.10.001

a. Root Mean Square Fluctuations (RMSF) of backbone atoms versus residue number of the WT, I50V_PR, V82A_PR and I84V_PR /SWCNT complexed structures.

b. Difference of RMSF values from MD simulation for WT and mutant HIV-PR/SWCNT complexed structures (mutant RMSF – wild type RMSF). The residues with an absolute difference larger than 0.75 Å are labeled by two cutoff dashed lines.

a. Root Mean Square Fluctuations (RMSF) of backbone atoms versus residue number of the WT, I50V_PR, V82A_PR and I84V_PR /SWCNT complexed structures.

b. Difference of RMSF values from MD simulation for WT and mutant HIV-PR/SWCNT complexed structures (mutant RMSF – wild type RMSF). The residues with an absolute difference larger than 0.75 Å are labeled by two cutoff dashed lines.