小服AI Pacific Northwest National Laboratory
案例与资讯
2022年第1期应用实例赏析-02 摘要 这项工作以甘氨酸碘化物配合物(Gly·I)为案例，展示了温度相关的“碘标记”光电子能谱去探测氨基酸特异性结合位点。研究表明，碘标记NIPES是一种强大的通用手段，运用在探索特定结合相互作用的生物分子...
Molpro 是用于分子电子结构计算的量子化学程序，侧重高精度电子相关计算，支持 CASPT2-F12、MRCI-F12、CCSD(T)-F12 等显式相关...
Molpro 是用于分子电子结构计算的量子化学程序，侧重高精度电子相关计算，支持 CASPT2-F12、MRCI-F12、CCSD(T)-F12 等显式相关...
北京泰科博思科技有限公司（Beijing Tech-Box S&T Co. Ltd.）成立于2007年，是国内领先的分子模拟及虚拟仿真综合解决方案提供商。 北京泰科博思科技有限公司与国际领先的模拟软件厂商、开发团队深入合作，是法国达索系统的合作伙伴。北京泰科为高校、科研院所和企业在材料、化工、药物、生命科学、环境、人工智能及数据挖掘、虚拟仿真教学等领域提供专业的模拟软件及整体解决方案。用户...
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主营：BIOVIA COSMO-RS、BIOVIA Materials Studio、BIOVIA Discovery Studio
基本信息
企业简介
Pacific Northwest National Laboratory (PNNL) is one of the United States Department of Energy national laboratories, established on January 4, 1965, and managed by Battelle Memorial Institute. Its main campus is located at 902 Battelle Boulevard, Richland, Washington.
PNNL draws on signature capabilities in chemistry, Earth sciences, and data analytics to advance scientific discovery and create solutions to the nation's toughest challenges in energy resiliency and national security. Its research fields cover energy, national security and the environment, with signature facilities including the Environmental Molecular Sciences Laboratory, the Atmospheric Radiation Measurement User Facility, and PNNL-Sequim for marine and coastal research.
In national security, PNNL develops science-based solutions in nuclear materials, threat analysis and related areas of expertise to secure the nation's critical infrastructure, combat global terrorism, and detect concealed threats and explosives.