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Figure 5 | BMC Genomics

Figure 5

From: Fragment based group QSAR and molecular dynamics mechanistic studies on arylthioindole derivatives targeting the α-β interfacial site of human tubulin

Figure 5

Diagrammatic representation of residues involved in various interactions with (a) HPI (shown in orange) forming hydrogen bond with Pro243 (purple) and residues involved in hydrophobic interactions (shown in green) (b) The post MD interactions of HPI showing one H bond with Gln245. (c) MSI (shown in blue) forming hydrogen bonds with Gly244 and Thr351 (purple) and residues involved in hydrophobic interactions are shown in orange. (d) The post MD interaction of MSI having no hydrogen bonds.

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BMC Genomics

ISSN: 1471-2164

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