SideLink: automated side-chain assignment of biopolymers from NMR data by relative-hypothesis-prioritization-based simulated logic

Journal of Magnetic Resonance
James E MasseKonstantin Pervushin

Abstract

Previously we published the development of AutoLink, a program to assign the backbone resonances of macromolecules. The primary limitation of this program has proven to be its inability to directly recognize spectral data, relying on the user to define peak positions in its input. Here, we introduce a new program for the assignment of side-chain resonances. Like AutoLink, this new program, called SideLink, uses Relative Hypothesis Prioritization to emulate "human" logic. To address the higher complexity of side-chain assignment problems, the RHP algorithm has itself been advanced, making it capable of processing almost any combinatorial logic problem. Additionally, SideLink directly examines spectral data, overcoming the need and limitations of prior data interpretation by users.

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Citations

Sep 23, 2008·European Biophysics Journal : EBJ·Peter Güntert
Sep 3, 2008·Journal of Biomolecular NMR·Dries VerdegemGuy Lippens
Jun 28, 2011·Journal of Biomolecular NMR·Jianyang ZengBruce Randall Donald
Mar 25, 2015·Scientific Reports·Jacqueline D CobbertAlexander Shekhtman
Jan 24, 2018·ACS Chemical Biology·Christopher M DeMottAlexander Shekhtman
Oct 13, 2006·Journal of the American Chemical Society·Victor A Jaravine, Vladislav Yu Orekhov

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