Schrodinger Suite 2007
软件简介—SoftWare Description: Schrodinger Suite 2007 药物研究

Schr?dinger提供致力于解决药物研究中挑战的完整软件套装。对于以结构为基础的药物设计，Prime是一款精确蛋白质结构预测软件包；Glide执行准确，迅速的配体-受体对接；Liaison预测结合与亲和力；QSite用来研究蛋白质活性区域内的反应机制；Schr?dinger还提供Phase用于作基于配体的药效建模，QikProp用于候选药物的ADME性状预测。另外，LigPrep是一款用于深度计算机分析配体库准备的快速2D至3D转换程序。最近，Schr?dinger还引入CombiGlide用于焦点库设计，引入Epik对生物环境中的配体质子化状态做精确枚举。

此外，Schr?dinger还提供利用计算化学最新技术的产品。Jaguar，高性能初始量子力学组件，MacroModel，分子模拟领域最受信赖的名字，已经广泛地应用于从材料到生命科学等全面的化学研究中。Strike是一款用于检查组织性能关系的化学方法统计程序包。

Maestro是所有Schr?dinger计算机程序的用户接口，提供提供强大、充分集成的分子的显现和分析环境。

::::::English Description::::::

  Schrodinger 2007 provides a complete suite of software that addresses the challenges in pharmaceutical research. For structure-based drug design, Prime is an accurate protein structure prediction package; Glide performs accurate, rapid ligand-receptor docking; Liaison predicts binding affinity; and QSite can be used to study reaction mechanisms within a protein active site. Schrodinger 2007 also provides Phase for ligand-based pharmacophore modeling, and QikProp for ADME properties prediction of drug candidates. In addition, LigPrep is a rapid 2D to 3D conversion program that can prepare ligand libraries for further computational analyses. And most recently, Schrodinger 2007 introduced CombiGlide for focused library design, and Epik for accurate enumeration of ligand protonation states in biological conditions.
  Furthermore, Schrodinger 2007 offers products that take advantage of the latest technological advances in computational chemistry. Jaguar, the high-performance ab initio quantum mechanics application,  and MacroModel, the most trusted name in molecular modeling, have been widely applied to address the full range of chemical research from materials to life sciences. Strike is a chemically aware statistical package for examining structure-property relationships.
  Maestro is the graphical user interface for all of Schrodinger 2007 s computational programs and provides a powerful, fully-integrated molecular visualization and analysis environment.