Automation of The Process
Structure determination by NMR has traditionally been a time consuming process, requiring interactive analysis of the data by a highly trained scientist. There has been a considerable interest in automating the process to increase the throughput of structure determination and to make protein NMR accessible to non-experts (See structural genomics). The two most time consuming processes involved are the sequence-specific resonance assignment (backbone and side-chain assignment) and the NOE assignment tasks. Several different computer programs have been published that target individual parts of the overall NMR structure determination process in an automated fashion. Most progress has been achieved for the task of automated NOE assignment. So far, only the FLYA and the UNIO approach were proposed to perform the entire protein NMR structure determination process in an automated manner without any human intervention. Efforts have also been made to standardize the structure calculation protocol to make it quicker and more amenable to automation.
Read more about this topic: Nuclear Magnetic Resonance Spectroscopy Of Proteins
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