Robust automated backbone triple resonance NMR assignments of proteins using Bayesian-based simulated annealing

The authors present BARASA, an approach to assign backbone triple resonance spectra of proteins that augments traditional approaches with a Bayesian statistical analysis of the observed chemical shifts. The algorithm employs a simulated annealing engine to establish a consensus set of resonance assi...

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Bibliographic Details
Main Authors: Anthony C. Bishop, Glorisé Torres-Montalvo, Sravya Kotaru, Kyle Mimun, A. Joshua Wand
Format: Article
Language:English
Published: Nature Portfolio 2023-03-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-023-37219-z