Schrodinger Suites 2017-1 Win/MacOS (医药软件)

  • 软件大小|Size:1.68G
  • 软件语言|Language:英文
  • 运行环境|Platform:/Win7/8/10/MacOS
  • 使用方式|License:无限制版
  • 更新时间|Release:2017-03-01
  • 软件评价|Rank:
  • 历史版本|Version:1
  • 下载次数|Counts:
  • 标 签|Tag:SCHRODINGER   Schrödinger   Suites   

软件介绍|Description ——介绍来源于互联网,具体功能以官方为准。

Schrödinger Suites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;Schrödinger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,Schrödinger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。
Schrodinger Suites 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 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 introduced CombiGlide for focused library design, and Epik for accurate enumeration of ligand protonation states in biological conditions.
  Furthermore, Schrodinger 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 s computational programs and provides a powerful, fully-integrated molecular visualization and analysis environment. 

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