Schrodinger Suites 2015-2 Win/Mac/Lnx + KNIME Workflows

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。
Schr?dinger 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.
Biologics Suits
This new, easy-to-use suite is designed from the ground up to be the first complete collection of all the tools that are important in modeling biologics, antibodies, and proteins.
Materials Science Suite
This innovative new suite provides versatile and powerful tools for the quantum mechanics-based simulation of chemical systems, enabling the analysis and optimization of systems with applications in specialty chemicals and materials science.
Discovery Informatics Suite
A next-generation platform for collaborative drug design allows multi-disciplinary teams, including medicinal chemists, biologists modelers, and IT professionals, to share, view, and manage data in real time.
PyMOL
PyMOL is a user-sponsored molecular visualization system on an open-source foundation. Please support development of this open, effective, and affordable software by purchasing a subscription to maintenance and/or support.
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Schrodinger.Suites.2015-2.LINUX64.ISO-TBE
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