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功能强大的药物设计软件 Ligandscout
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Ligandscout 是要款功能强大的药物设计软件。 界面也非常漂亮。 可以免费试用。 LigandScout 2.0 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 [1-4] 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 makes the exploration of the active site and pharmacophore creation within the complex efficient and transparent. 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. Free evaluation: You can download a fully functional version and test it for one month by registering. For longer or scheduled evaluation periods, further information or scientific questions contact Gerhard Wolber (wolber@inteligand.com). 连接如下： http://www.inteligand.com/ligandscout/ |
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