Title :
Automated assignment of backbone NMR peaks using constrained bipartite matching
Author :
Xu, Ying ; Xu, Dong ; Dongsup Kai ; Olman, Victor ; Razumovskaya, Jane ; Jiang, Tao
Author_Institution :
Life Sci. Div., Oak Ridge Nat. Lab., TN, USA
Abstract :
Peak assignment is a key step in solving protein structures using nuclear magnetic resonance. The authors present a new computational framework for automating this process, particularly for backbone resonance peak assignment, as a constrained weighted bipartite matching problem. Although it´s NP-hard, they have developed a rigorous algorithm to solve the problem
Keywords :
NMR spectroscopy; computational complexity; nuclear magnetic resonance; pattern matching; proteins; spectroscopy computing; NP-hard; backbone resonance peak assignment; computational framework; constrained weighted bipartite matching; nuclear magnetic resonance; peak assignment; protein structures; Accuracy; Amino acids; Chemicals; Fuzzy logic; Joining processes; Magnetic resonance; Nuclear magnetic resonance; Protein engineering; Spectroscopy; Spine;
Journal_Title :
Computing in Science & Engineering
DOI :
10.1109/5992.976437