Molecular Modeling

9.1.9分子建模与合成化学共享服务 MMSC共享服务是在原有分子建模共享服务的基础上融合而成的一种新的共享服务 服务(MMSS)和前合成化学共享服务(SCSS)。这一重组是由 在过去五年中，这些共享服务之间出现了协同效应，并相信更强大的 有关人员之间的行政和科学联系将使AZCC成员受益。 分子建模和合成化学(MMSC)共享服务的使命是提供 为开发新的抗癌化合物提供咨询、分子建模支持、定制合成 向AZCC调查人员提供化学成分和结构鉴定。MMSC共享服务提供 以下是： ？基于结构的设计技术方面的专业知识 ？获得基于药效团的建模、鉴定和虚拟筛选技术 就化学合成和修饰中的问题与AZCC调查人员进行磋商 ？无标记化合物的定制化学合成 ？稳定同位素或放射性同位素标记化合物的定制合成(目前，放射性同位素合成 仅限于氚、碳14和硫35) ？协助未知化合物的光谱表征 MMSC共享服务目前正在合作开发基于Gd的MRI代理。涉案人员 工作人员定期与首席调查员会面，讨论该项目。预计类似的 MMSC共享服务的参与将在未来几年加强AZCC的其他项目。来驾驶这辆车 使用类型，MMSC共享服务人员将主动访问AZCC调查人员小组会议，以解释 MMSC共享服务的功能和能力，并分享我们的成功。

9.1.9 MOLECULAR MODELING AND SYNTHETIC CHEMISTRY SHARED SERVICE The MMSC Shared Service is a new shared service created by fusion of the former Molecular Modeling Shared Service (MMSS) and the former Synthetic Chemistry Shared Service (SCSS). This reorganization is driven by the synergy that has arisen between these shared services during the past five years, and by the belief that stronger administrative and scientific ties between the involved personnel will benefit members of the AZCC. The mission of the Molecular Modeling and Synthetic Chemistry (MMSC) Shared Service is to provide consultation, molecular modeling support for the development of new anticancer compounds, custom syntheses of chemical compounds, and structure identification to AZCC investigators. The MMSC Shared Service offers the following: ¿ Expertise in structure-based design techniques ¿ Access to pharmacophore-based modeling, identification, and virtual screening techniques ¿ Consultation with AZCC investigators on problems in chemical synthesis and modification ¿ Custom chemical synthesis of unlabeled compounds ¿ Custom synthesis of stable isotope or radioisotope labeled compounds (presently, radioisotope synthesis is limited to tritium, carbon-14, and sulfur-35) ¿ Assistance in the spectroscopic characterization of unknown compounds The MMSC Shared Service is currently collaborating on the development of Gd-based MRI agents. The involved personnel meet regularly with the principal investigator to discuss the project. It is expected that similar involvement of the MMSC Shared Service will enhance other AZCC projects in the coming years. To drive this type of use, MMSC Shared Service personnel will offer to visit AZCC investigators' group meetings to explain the function and capabilities of the MMSC Shared Service and to share our successes.