The Collaborative Computational Project for NMR (CCPN): data analysis, integration and partnerships for NMR in the biosciences

NMR 协作计算项目 (CCPN)：生物科学中 NMR 的数据分析、集成和合作伙伴关系

• 批准号: MR/P00038X/1
• 负责人: Geerten Vuister
• 金额: $ 117.23万
• 依托单位: University of Leicester
• 依托单位国家: 英国
• 项目类别: Research Grant
• 财政年份: 2016
• 资助国家: 英国
• 起止时间: 2016 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=MR%2FP00038X%2F1
• 关键词: Collaborative; Computational; Project; NMR; CCPN

The Collaborative Computing Project for NMR (CCPN) was started in 2000 to improve the interoperability of software for biomolecular Nuclear Magnetic Resonance (NMR), and to promote a collaborative community for software users and programmers. Over the past fifteen years, the project has produced the CcpNmr suite of software for interactive NMR data analysis and software integration, which is now used worldwide by >1000 users. Through its conferences and workshops, CCPN also promotes best practices in both computational and experimental aspects of NMR, thus helping to maximise the impact of biological NMR research. CCPN has a leading role in the development of a NMR data-exchange format and coordination of NMR instrumentation proposals for RCUK and BIS.With the current proposal we seek to continue the CCPN project and to further expand its user community. Hence, over the next grant period we aim to:1. Maintain and expand the CCPN code base.2. Expand the capabilities and versatility of the CCPN software package.3. Facilitate NMR-based scientific developments in collaboration with the partners of the project and the NMR community at large.4. Promote and expand user uptake and user development of the software.5. Provide support for research data management (RDM).6. Support the training of researchers, sharing of knowledge and exchange of best-practices by the UK and international NMR community.

核磁共振协同计算项目（CCPN）于2000年启动，旨在提高生物分子核磁共振（NMR）软件的互操作性，并促进软件用户和程序员之间的协作社区。在过去的15年里，该项目已经生产了用于交互式NMR数据分析和软件集成的CcpNmr软件套件，该软件目前在全球范围内被bb101000用户使用。通过其会议和研讨会，CCPN还促进核磁共振计算和实验方面的最佳实践，从而帮助最大限度地提高生物核磁共振研究的影响。CCPN在开发核磁共振数据交换格式和协调RCUK和BIS的核磁共振仪器建议方面发挥着主导作用。根据目前的提案，我们寻求继续CCPN项目并进一步扩大其用户社区。因此，在下一个资助期内，我们的目标是：维护和扩展CCPN代码库。扩展CCPN软件包的功能和多功能性。与项目合作伙伴和核磁共振社区合作，促进基于核磁共振的科学发展。促进和扩大用户对软件的吸收和用户开发。为研究数据管理提供支持。支持研究人员的培训，英国和国际核磁共振社区的知识共享和最佳实践交流。

项目成果

Sin3A recruits Tet1 to the PAH1 domain via a highly conserved Sin3-Interaction Domain.

• DOI: 10.1038/s41598-018-32942-w
• 发表时间: 2018-10-02
• 期刊: Scientific reports
• 影响因子: 4.6
• 作者: Chandru A;Bate N;Vuister GW;Cowley SM
• 通讯作者: Cowley SM

Methyl group assignment using pseudocontact shifts with PARAssign.

• DOI: 10.1007/s10858-017-0136-3
• 发表时间: 2017-12
• 期刊: Journal of biomolecular NMR
• 影响因子: 2.7
• 作者: Lescanne M;Skinner SP;Blok A;Timmer M;Cerofolini L;Fragai M;Luchinat C;Ubbink M
• 通讯作者: Ubbink M

Fragment-Based Drug Discovery by NMR. Where Are the Successes and Where can It Be Improved?

• DOI: 10.3389/fmolb.2022.834453
• 发表时间: 2022
• 期刊: Frontiers in molecular biosciences
• 影响因子: 5
• 作者: Mureddu LG;Vuister GW
• 通讯作者: Vuister GW

Federating Structural Models and Data: Outcomes from A Workshop on Archiving Integrative Structures

• DOI: 10.1016/j.str.2019.11.002
• 发表时间: 2019-12-03
• 期刊: STRUCTURE
• 影响因子: 5.7
• 作者: Berman, Helen M.;Adams, Paul D.;Sali, Andrej
• 通讯作者: Sali, Andrej