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The binding affinities of peptide candidates were evaluated using the Schrdinger software suite

We further carried out 60-ns MD simulations with 3 replicas for PV2-C23pAcF and PV2-C96pAcF variants to understand the effect of pAcF incorporation on protein conformation, and the RMSD, RMSF, radius of gyration, the existence of hydrogen bonds and salt bridges were analyzed (Figs

PloS one 2012;7, e45069, doi:10.1371/journal.pone.0045069

The fix is the same: adjust your unit draw based on the actual concentration

Oregon R + was used as the wild type control line for all experiments

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