ADAPT-NMR 3.0: utilization of BEST-type triple-resonance NMR experiments to accelerate the process of data collection and assignment.
ADAPT-NMR 3.0: utilization of BEST-type triple-resonance NMR experiments to accelerate the process of data collection and assignment.
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ADAPT-NMR 3.0：利用BEST型三重共振NMR实验来加速数据收集和分配的过程。
DOI：
10.1007/s10858-015-9950-7
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发表时间：
2015
影响因子：
2.7
通讯作者：
Markley,JohnL
中科院分区：
文献类型：
--
作者：
Dashti,Hesam;Tonelli,Marco;Markley,JohnL
ADAPT-NMR（利用核磁共振概率工具包的定向分配数据收集算法）是一个软件包，其贝叶斯核心使用动态化学移位分配来指导数据采集，从一组通过键的核磁共振实验中进行非均匀采样。新版本的ADAPT-NMR （ADAPT-NMR v3.0）可以选择使用best类型脉冲序列的2D倾斜平面版本的3D快速光谱采集，同时还保留了从倾斜平面版本的传统灵敏度增强实验中获取和处理数据的能力。BEST实验的使用显著减少了数据收集时间，并提高了ADAPT-NMR的性能。
ADAPT-NMR (Assignment-directed Data collection Algorithm utilizing a Probabilistic Toolkit in NMR) is a software package whose Bayesian core uses on-the-fly chemical shift assignments to guide data acquisition by non-uniform sampling from a panel of through-bond NMR experiments. The new version of ADAPT-NMR (ADAPT-NMR v3.0) has the option of utilizing 2D tilted-plane versions of 3D fast spectral acquisition with BEST-type pulse sequences, while also retaining the capability of acquiring and processing data from tilted-plane versions of conventional sensitivity-enhanced experiments. The use of BEST experiments significantly reduces data collection times and leads to enhanced performance by ADAPT-NMR.