3D Pharmacophore Modeling Techniques in Computer‐Aided Molec…

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  • DOI 10.1002/9781119161110.ch20
  • OpenAlex ID W2716636539
  • Type Other
  • Language EN
  • Published 23 Jun 2017
  • Pages 279–309
  • Added 10 Oct 2025
  • Updated 10 Oct 2026
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3D Pharmacophore Modeling Techniques in Computer‐Aided Molecular Design Using LigandScout

Other 2017 EN

This chapter reviews theory related to pharmacophore models and guide the user through six essential workflows using LigandScout: structure-based pharmacophore modeling, ligand-based pharmacophore modeling, creating shared-feature pharmacophore models, accurate virtual screening and pharmacophore editing in the active site, Hit analysis and parallel virtual screening. It includes some tutorials in…

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46

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5 authors
#AuthorInstitutionsORCID
1 Thomas Seidel —
2 Sharon D. Bryant —
3 Gökhan Ibis — —
4 Giulio Poli —
5 Thierry Langer —

Data: OpenAlex