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Fig. 2 | BMC Research Notes

Fig. 2

From: Homology modelling, molecular docking, and molecular dynamics simulations reveal the inhibition of Leishmania donovani dihydrofolate reductase-thymidylate synthase enzyme by Withaferin-A

Fig. 2

Molecular dynamics simulation: root mean square deviations (RMSD) of the proteins Ld DHFR-TS (black), Hu DHFR (red) and Hu TS (blue) a in the absence and b in the presence of WA. c Presents the RMSD of WA bound in different proteins. Root mean square fluctuations (RMSF) of Cα atoms of the residues of proteins: d Ld DHFR-TS, e Hu DHFR and f Hu TS in the absence and the presence of WA. The color codes are presented in the labels

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BMC Research Notes

ISSN: 1756-0500

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