ArticleDiscrete applied mathematics (Amsterdam, Netherlands : 1988)2019
Minimal NMR distance information for rigidity of protein graphs.
Article in Discrete applied mathematics (Amsterdam, Netherlands : 1988), 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
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Who cites it
2 citing papers in PubMed.
- Protein Loop Modeling via the Discretizable Distance Geometry Problem with Hydrogen-Based NMR Constraints.ACS omega · 2026Article
- A Probabilistic Approach in the Search Space of the Molecular Distance Geometry Problem.Journal of chemical information and modeling · 2025Article
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7 authors.
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Abstract
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.
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