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Molecular dynamics simulations results; (A) RMSD values of 6-demethoxy-4`-O-capillarsine, PLP and 6-demethoxy-4`-O-capillarsine -PLP complex during MD runs. (B) RMSF for PLP in the MD run. (C) Radius of gyration of PLP in the MD run. (D) SASA of PLP in the MD run. (E) H- bonding between 6-demethoxy-4`-O-capillarsine -PLP complex in the MD run.
