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@proceedings{1639685, author = {Tripsianes, Konstantinos}, booktitle = {EUROISMAR 2019}, keywords = {4D-CHAINS/autoNOE-Rosetta; rapid NMR structure determination}, language = {eng}, title = {4D-CHAINS/autoNOE-Rosetta, an automatedpipeline for rapid NMR structure determination}, url = {https://conference.euroismar2019.org/event/1/contributions/352/contribution.pdf}, year = {2019} }
TY - CONF ID - 1639685 AU - Tripsianes, Konstantinos PY - 2019 TI - 4D-CHAINS/autoNOE-Rosetta, an automatedpipeline for rapid NMR structure determination KW - 4D-CHAINS/autoNOE-Rosetta KW - rapid NMR structure determination UR - https://conference.euroismar2019.org/event/1/contributions/352/contribution.pdf L2 - https://conference.euroismar2019.org/event/1/contributions/352/contribution.pdf N2 - The automation of NMR structure determination remains a significant bottleneck towards increasing the throughput and accessibility of NMR as a structural biology tool to study proteins. The chief barrier currently is that obtaining NMR assignments at sufficient levels of completeness to accurately define the structures by conventional methods requires a significant amount of spectrometer time (several weeks), and effort by a trained expert (up to several months). We have recently addressed both bottlenecks by presenting a complete pipeline that meets the key objectives of NMR structure determination; minimal data collection, least human intervention, and applicability to large proteins [1]. Key to our approach was the development of 4D-CHAINS algorithm that provides highly accurate and near-complete NMR resonance assignments from only two 4D spectra. In combination with autoNOE-Rosetta, 4D-CHAINS provides a robust approach leveraging a highly automated process to obtain reliable structures in a matter of days [2, 3]. Besides illustrating the merits of our pipeline for timely NMR structural studies, novel concepts in automation will be discussed aiming to harness the powerful advantages of the next-generation NMR spectrometers with magnetic strengths of 1.2 GHz. ER -
TRIPSIANES, Konstantinos. 4D-CHAINS/autoNOE-Rosetta, an automatedpipeline for rapid NMR structure determination. In \textit{EUROISMAR 2019}. 2019.
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