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© Research
Publication : Discrete applied mathematics (Amsterdam, Netherlands : 1988)

Minimal NMR distance information for rigidity of protein graphs

Scientific Fields
Diseases
Organisms
Applications
Technique

Published in Discrete applied mathematics (Amsterdam, Netherlands : 1988) - 26 Apr 2018

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

Link to Pubmed [PMID] – 30799888

Discrete Appl Math 2019 Mar;256:91-104

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.

https://www.ncbi.nlm.nih.gov/pubmed/30799888