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Physics-based method to validate and repair flaws in protein structures

A method that makes use of information provided by the combination of (13)C(α) and (13)C(β) chemical shifts, computed at the density functional level of theory, enables one to (i) validate, at the residue level, conformations of proteins and detect backbone or side-chain flaws by taking into account...

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Bibliografske podrobnosti
Main Authors: Martin, Osvaldo A., Arnautova, Yelena A., Icazatti, Alejandro A., Scheraga, Harold A., Vila, Jorge A.
Format: Artigo
Jezik:Inglês
Izdano: National Academy of Sciences 2013
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC3801053/
https://ncbi.nlm.nih.gov/pubmed/24082119
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1315525110
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