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Figure 2 | BMC Bioinformatics

Figure 2

From: Multiple virtual screening approaches for finding new Hepatitis c virus RNA-dependent RNA polymerase inhibitors: Structure-based screens and molecular dynamics for the pursue of new poly pharmacological inhibitors

Figure 2

A workflow describing the steps taken in both ligand-based and structure-based approaches to find novel inhibitors for HCV polymerase NS5B. A) the ligand-based search consisted of pharmacophore generation and screening, followed by docking and selection.B) Structure-based NNI work flow consists of identifying the target binding sites and their interaction pharmacophore, a two-stage docking screen, combined with a neural-network ranking model for the hits, and finally, molecular dynamics simulations for the promising hits.

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BMC Bioinformatics

ISSN: 1471-2105

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