Schrödinger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。 此外,Schrödinger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Schrödinger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。
Schrödinger Suites 2015-2 (Win/Mac/Lnx) with KNIME Workflows | 2.96/3.04/3.17/3.18/2.87 Gb / 754Mb
Small-Molecule Drug Discovery Suite. From QSAR to virtual screening to binding affinity predictions, the comprehensive Small-Molecule Drug. Discovery Suite contains all the tools necessary for fragment-, ligand-, and structure-based drug design for lead discovery and optimization.
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