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Fig. 3 | Journal of Biological Engineering

Fig. 3

From: Phytoconstituents of Withania somnifera (L.) Dunal (Ashwagandha) unveiled potential cerebroside sulfotransferase inhibitors: insight through virtual screening, molecular dynamics, toxicity, and reverse pharmacophore analysis

Fig. 3

The representation of structural deviations in CST involves the analysis of the Root Mean Square Deviation (RMSD) and the Root Mean Square Fluctuation (RMSF) over time in CST and its complexes. A The RMSD plot displays the changes in the spatial structure of CST over a specific time scale, highlighting any deviations from its original conformation. B The RMSF distribution displays the magnitude of fluctuations of each residue in the protein structure. Lower panel of A & B represented probability distribution function of RMSD and RMSF

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Journal of Biological Engineering

ISSN: 1754-1611