Minimal NMR distance information for rigidity of protein graphs.


Journal Article

Nuclear Magnetic Resonance (NMR) experiments provide distances between nearby atoms of a protein molecule. The corresponding structure determination problem is to determine the 3D protein structure by exploiting such distances. We present a new order on the atoms of the protein, based on information from the chemistry of proteins and NMR experiments, which allows us to formulate the problem as a combinatorial search. Additionally, this order tells us what kind of NMR distance information is crucial to understand the cardinality of the solution set of the problem and its computational complexity.

Full Text

Cited Authors

  • Lavor, C; Liberti, L; Donald, B; Worley, B; Bardiaux, B; Malliavin, TE; Nilges, M

Published Date

  • March 2019

Published In

Volume / Issue

  • 256 /

Start / End Page

  • 91 - 104

PubMed ID

  • 30799888

Pubmed Central ID

  • 30799888

International Standard Serial Number (ISSN)

  • 0166-218X

Digital Object Identifier (DOI)

  • 10.1016/j.dam.2018.03.071


  • eng