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InteLigand.LigandScout.v2.03.Linux\ (藥物研發3D分析工具)
運行環境:Win9X/Win2000/WinXP/Win2003/
軟件語言:英文
軟件類型:國外軟件 - 其它行業 - 生物醫學
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InteLigand.LigandScout.v2.03.Linux\

 

InteLigand LigandScout v2.02 (藥物研發3D分析工具)


            InteLigand LigandScout : 藥物研發 3D 結構分析工具

            InteLigand LigandScout
            是一個藥物研發結構分析工具,LigandScout使研發人員能夠快速、透明地從藥物的高分子/配合物結構化數據中獲得三維藥效團(3D
            pharmacophores),這一切完全實現了自動化。

            InteLigand LigandScout
            支持各種常見的藥效格式,如可以輸出至Catalyst,MOE,或者Phase,能夠保證最大程度的篩選平臺間互操作性。

            InteLigand LigandScout
            功能齊備的圖形用戶界面,多重undo-levels特性,使得活性部位與藥效團的研究、建立變得更精細、更有效率,過程更加透明。結合活性位點分析,以藥效團為基礎的調準和創建共有特性的藥效團得以設計,LigandScout成為了結合虛擬篩選的,基于結構的藥物設計中必不可少的工具。

            InteLigand LigandScout

            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
            Catalyst, MOE or Phase 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.

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