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Results obtained through molecular dynamics (MD) studies. (A) Root mean square deviation (RMSD) of the protein-hit compounds from the Natural-Product-Based Library (NPBL) database. (B) RMSD of the protein-hit compounds from the Natural-Product-Like Library (NPLL) database. (C) Binding mode analysis of compounds from NPBL database. (D) Binding mode analysis of compounds from NPLL database.
