Schrödinger Suites 2024新版发布!
Schrödinger提供致力于应对药物研究中挑战的完整软件套件。针对基于结构的药物设计,Prime是精确的蛋白质结构预测软件包;Glide执行准确实时配体-受体对接;Liaison预测结合自由能与亲和力;QSite用于研究蛋白质活性口袋内的反应机制;Phase实现基于配体的药效团建模,QikProp则预测候选药物的ADME特性。另配备LigPrep快速2D至3D转换程序用于配体库准备深度计算。新近推出的CombiGlide支持聚焦库设计,Epik可精确枚举生物环境下配体质子化状态。此外,Schrödinger提供应用前沿计算化学技术的组件:Jaguar高性能量子力学引擎、应用于材料与生命科学领域的经典分子模拟器MacroModel。Strike为化学方法统计程序包,用于构效关系分析。所有模块通过Maestro统一界面进行操作,该集成化平台提供强大的分子可视化与分析环境。
x64架构 | 文件体量: 6.90 GB
产品说明
Schrödinger作为计算化学领域的科学先导者,为生命科学与材料研究提供软件解决方案。公司以客户需求为核心打造集成化软件及服务体系。
我们致力通过革新性的计算技术赋能全球科研工作者,推动改善人类健康与生活品质。借助突破性科学软件与战略合作,助力科学家加速研发进程、降低成本、实现传统方法难以企及的研究突破。
Schrödinger套件融合配体与结构双重药物设计策略,为解决生命科学实际问题提供精准可靠的高性能计算技术。在候选药物设计筛选与优化领域具有卓越优势,其预测模型可在早期研发阶段评估化合物特性,优化候选药物开发路径。相比其他计算方法或实验手段,Schrödinger软件显著提升研发效率,降低研究成本并催生创新发现。
系统需求
操作系统:Windows 10(20H2/21H1/21H2)、Windows 11 21H2
处理器:x86_64兼容芯片
内存:单核对应4 GB
存储:软件安装需18 GB;完整数据库(PDB/BLAST等)需400-500 GB
网络:配置网络接口的网卡
显示:16位色深(Maestro组件需求)
Schrödinger Suites 2024新版发布!
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
x64 | File Size: 6.90 GB
Description
Schrцdinger is a scientific leader in computational chemistry, providing software solutions and services for life sciences and materials research. Schrцdinger aims to provide integrated software solutions and services that truly meet its customers’ needs.
We want to empower researchers around the world to achieve their goals of improving human health and quality of life through advanced computational techniques that transform the way chemists design compounds and materials. By building and deploying breakthrough scientific software solutions and forming collaborations and partnerships, we help scientists accelerate their research and development activities, reduce costs, and make novel discoveries that might otherwise not be possible.
Schrцdinger software suite is a drug design software using both ligand and structure-based methods. Schrцdinger provides accurate, reliable, and high performance computational technology to solve real-world problems in life science research. It provides superior solutions and services for the design, selection, and optimization of novel drug candidates. Schrцdinger’s predictive models will enable drug discovery scientists to assess properties of chemical compounds early in the discovery process and to select drug candidates that have optimal profiles. The predictive power of Schrцdinger’s software allows scientists to accelerate their research and development activities, reduce research costs, and make novel discoveries that might not be possible with other computational or experimental approaches.
System Requirements
OS:Windows 10, versions, 20H2, 21H1, 21H2/Windows 11, version 21H2.
CPU:x86_64 compatible processor
Memory:4 GB memory per core
Space:18 GB disk space for software installation; 400-500 GB if databases (PDB, BLAST, etc) are also installed
Network card with a configured network interface
16-bit color (for Maestro)
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