Matches in SemOpenAlex for { <https://semopenalex.org/work/W2643001985> ?p ?o ?g. }
- W2643001985 endingPage "7063" @default.
- W2643001985 startingPage "7055" @default.
- W2643001985 abstract "The derivation of protein structure from values of observable quantities measured in NMR experiments is a rather nontrivial task due to (i) the limited number of data compared to degrees of freedom of a protein, (ii) the uncertainty inherent to the function connecting an observable quantity to molecular structure, (iii) the finite quality of biomolecular models and force fields used in structure refinement, and (iv) the conformational freedom of a protein in aqueous solution, which requires extensive conformational sampling and appropriate conformational averaging when calculating or restraining to sets of NMR data. The protein interleukin-4 (IL-4) has been taken as a test case using NOE distances, S2 order parameters, and 3J-couplings as test data and the former two types of data as restraints. It is shown that, by combining sets of different, complementary NMR data as restraints in MD simulations, inconsistencies in the data or flaws in the model and procedures used to derive protein structure from NMR data can be detected. This leads to an improved structural interpretation of such data particularly in more mobile loop regions." @default.
- W2643001985 created "2017-06-30" @default.
- W2643001985 creator A5032794205 @default.
- W2643001985 creator A5063856246 @default.
- W2643001985 creator A5079455776 @default.
- W2643001985 date "2017-07-13" @default.
- W2643001985 modified "2023-10-02" @default.
- W2643001985 title "Using Complementary NMR Data Sets To Detect Inconsistencies and Model Flaws in the Structure Determination of Human Interleukin-4" @default.
- W2643001985 cites W1491824558 @default.
- W2643001985 cites W1503741534 @default.
- W2643001985 cites W1513939725 @default.
- W2643001985 cites W1842518224 @default.
- W2643001985 cites W1964659291 @default.
- W2643001985 cites W1965961239 @default.
- W2643001985 cites W1971398376 @default.
- W2643001985 cites W1975914851 @default.
- W2643001985 cites W1985854865 @default.
- W2643001985 cites W1987934686 @default.
- W2643001985 cites W1990719397 @default.
- W2643001985 cites W1992109326 @default.
- W2643001985 cites W1992157013 @default.
- W2643001985 cites W1995816895 @default.
- W2643001985 cites W1996112440 @default.
- W2643001985 cites W1996138414 @default.
- W2643001985 cites W2005375796 @default.
- W2643001985 cites W2006776495 @default.
- W2643001985 cites W2007701882 @default.
- W2643001985 cites W2008986287 @default.
- W2643001985 cites W2025404528 @default.
- W2643001985 cites W2025717854 @default.
- W2643001985 cites W2027154929 @default.
- W2643001985 cites W2027243011 @default.
- W2643001985 cites W2037061225 @default.
- W2643001985 cites W2038212786 @default.
- W2643001985 cites W2043605061 @default.
- W2643001985 cites W2060189458 @default.
- W2643001985 cites W2066281409 @default.
- W2643001985 cites W2067822755 @default.
- W2643001985 cites W2071433009 @default.
- W2643001985 cites W2073486807 @default.
- W2643001985 cites W2085661131 @default.
- W2643001985 cites W2085854826 @default.
- W2643001985 cites W2106140689 @default.
- W2643001985 cites W2110269314 @default.
- W2643001985 cites W2115833935 @default.
- W2643001985 cites W2117583588 @default.
- W2643001985 cites W2120056767 @default.
- W2643001985 cites W2125938217 @default.
- W2643001985 cites W2127522551 @default.
- W2643001985 cites W2130479394 @default.
- W2643001985 cites W2140612321 @default.
- W2643001985 cites W2144120552 @default.
- W2643001985 cites W2155858732 @default.
- W2643001985 cites W2277638809 @default.
- W2643001985 cites W2549337429 @default.
- W2643001985 cites W2555800035 @default.
- W2643001985 cites W2614502165 @default.
- W2643001985 cites W4237172111 @default.
- W2643001985 doi "https://doi.org/10.1021/acs.jpcb.7b03647" @default.
- W2643001985 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/28640620" @default.
- W2643001985 hasPublicationYear "2017" @default.
- W2643001985 type Work @default.
- W2643001985 sameAs 2643001985 @default.
- W2643001985 citedByCount "2" @default.
- W2643001985 countsByYear W26430019852019 @default.
- W2643001985 countsByYear W26430019852020 @default.
- W2643001985 crossrefType "journal-article" @default.
- W2643001985 hasAuthorship W2643001985A5032794205 @default.
- W2643001985 hasAuthorship W2643001985A5063856246 @default.
- W2643001985 hasAuthorship W2643001985A5079455776 @default.
- W2643001985 hasBestOaLocation W26430019852 @default.
- W2643001985 hasConcept C105795698 @default.
- W2643001985 hasConcept C121332964 @default.
- W2643001985 hasConcept C14036430 @default.
- W2643001985 hasConcept C147597530 @default.
- W2643001985 hasConcept C185592680 @default.
- W2643001985 hasConcept C186060115 @default.
- W2643001985 hasConcept C208081375 @default.
- W2643001985 hasConcept C32848918 @default.
- W2643001985 hasConcept C33923547 @default.
- W2643001985 hasConcept C41008148 @default.
- W2643001985 hasConcept C46141821 @default.
- W2643001985 hasConcept C47701112 @default.
- W2643001985 hasConcept C55037315 @default.
- W2643001985 hasConcept C62520636 @default.
- W2643001985 hasConcept C78458016 @default.
- W2643001985 hasConcept C86803240 @default.
- W2643001985 hasConcept C97355855 @default.
- W2643001985 hasConceptScore W2643001985C105795698 @default.
- W2643001985 hasConceptScore W2643001985C121332964 @default.
- W2643001985 hasConceptScore W2643001985C14036430 @default.
- W2643001985 hasConceptScore W2643001985C147597530 @default.
- W2643001985 hasConceptScore W2643001985C185592680 @default.
- W2643001985 hasConceptScore W2643001985C186060115 @default.
- W2643001985 hasConceptScore W2643001985C208081375 @default.
- W2643001985 hasConceptScore W2643001985C32848918 @default.
- W2643001985 hasConceptScore W2643001985C33923547 @default.
- W2643001985 hasConceptScore W2643001985C41008148 @default.