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

Minimal NMR distance information for rigidity of protein graphs

Team: Structural Bioinformatics
Team: Functional dynamics
Member: Benjamin Bardiaux
Member: Thérèse Malliavin
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.