Minimal NMR distance information for rigidity of protein graphs - Archive ouverte HAL
Pré-Publication, Document De Travail Année : 2018

Minimal NMR distance information for rigidity of protein graphs

Résumé

Nuclear Magnetic Resonance (NMR) experiments provide distances between close atoms of a protein molecule and the problem is how to determine the 3D protein structure by exploiting such distances. We present a new hand-crafted order on the atoms of the protein that uses information from the chemistry of proteins and NMR experiments and allows us to formulate the problem as a combinatorial search. Additionally, this order tell us what kind of NMR distance information is crucial to understand the cardinality of the solution set of the problem and its computational complexity.
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Dates et versions

hal-01907200 , version 1 (21-11-2018)
hal-01907200 , version 2 (06-11-2019)

Identifiants

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Carlile Lavor, Leo Liberti, Bruce Donald, Thérèse Malliavin, Michael Nilges. Minimal NMR distance information for rigidity of protein graphs. 2018. ⟨hal-01907200v1⟩
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