Description
LigandScout is a software tool that allows to rapidly and transparently derive 3D pharmacophores from structural data of macromolecule/ligand complexes in a fully automated and convenient way.
The algorithms are scientifically published and based on several years of experience in pharmacophore creation, while the application corresponds to state-of-the-art information technology. Support for various common pharmacophore formats like the export to Catalysttm, MOEtm or Phasetm guarantee maximum interoperability to screening platforms.
The full-featured 3D graphical user interface with multiple undo-levels will make the exploration of the active site and pharmacophore creation within the complex transparent and efficient.
Binding site analysis, pharmacophore-based alignment and the creation of shared feature pharmacophores are designed to make LigandScout an essential tool for structure-based drug design in combination with virtual screening. LigandScout runs on all common operating systems.
User Reviews for LigandScout FOR MAC 1
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for LigandScout FOR MAC
LigandScout FOR MAC offers rapid 3D pharmacophore derivation with a user-friendly interface. Essential for structure-based drug design and virtual screening.