The project Pushing the limits in automated NMR structure determination using a single 4D NOESY spectrum and machine learning methods, funded by the Grand Agency of the Masaryk University is starting in March 2018. The project focus on combination of novel NOESY concepts with artificial intelligence to a streamlined strategy designed to meet the key objectives of NMR structure determination; minimal data collection, least human intervention, and applicability to large proteins. CERIT-SC is involved in the project as a centre of high performance computing expertise, helping with computationally-demanding deel-learning pipeline.
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