Matches in SemOpenAlex for { <https://semopenalex.org/work/W2016098772> ?p ?o ?g. }
Showing items 1 to 89 of
89
with 100 items per page.
- W2016098772 endingPage "3805" @default.
- W2016098772 startingPage "3801" @default.
- W2016098772 abstract "Model calculations are performed to evaluate the utility of molecular dynamics with NMR interproton distance restraints for determining the three-dimensional structure of proteins. The system used for testing the method is the 1.5-A resolution crystal structure of crambin (a protein of 46 residues) from which a set of 240 approximate interproton distances of less than 4 A are derived. The convergence properties of the method are examined by using different dynamics protocols and starting from two initial structures; one is a completely extended beta-strand, and the other has residues 7-19 and 23-30 in the form of alpha-helices (as in the crystal structure) with the remaining residues in the form of extended beta-strands. In both cases global and local convergence to the correct final structure is achieved with rms atomic differences between the restrained dynamics structures and the crystal structure of 1.5-2.1 A for the backbone atoms and 2.1-2.8 A for all atoms; the averaged structure has backbone and all atom rms deviations of 1.3 and 1.9 A, respectively. Further, it is shown that a restrained dynamics structure with significantly larger deviations (i.e., 5.7 A for the backbone atoms) can be characterized as incorrect, independent of a knowledge of the crystal structure." @default.
- W2016098772 created "2016-06-24" @default.
- W2016098772 creator A5004995359 @default.
- W2016098772 creator A5019377238 @default.
- W2016098772 creator A5056911622 @default.
- W2016098772 creator A5076499540 @default.
- W2016098772 date "1986-06-01" @default.
- W2016098772 modified "2023-10-10" @default.
- W2016098772 title "Three-dimensional structure of proteins determined by molecular dynamics with interproton distance restraints: application to crambin." @default.
- W2016098772 cites W1503741534 @default.
- W2016098772 cites W1530792563 @default.
- W2016098772 cites W1535631466 @default.
- W2016098772 cites W1591554765 @default.
- W2016098772 cites W1968246808 @default.
- W2016098772 cites W1969625355 @default.
- W2016098772 cites W1986379760 @default.
- W2016098772 cites W2019178773 @default.
- W2016098772 cites W2044109357 @default.
- W2016098772 cites W2045259048 @default.
- W2016098772 cites W2057691786 @default.
- W2016098772 doi "https://doi.org/10.1073/pnas.83.11.3801" @default.
- W2016098772 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/323611" @default.
- W2016098772 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/3459158" @default.
- W2016098772 hasPublicationYear "1986" @default.
- W2016098772 type Work @default.
- W2016098772 sameAs 2016098772 @default.
- W2016098772 citedByCount "301" @default.
- W2016098772 countsByYear W20160987722012 @default.
- W2016098772 countsByYear W20160987722013 @default.
- W2016098772 countsByYear W20160987722014 @default.
- W2016098772 countsByYear W20160987722015 @default.
- W2016098772 countsByYear W20160987722017 @default.
- W2016098772 countsByYear W20160987722019 @default.
- W2016098772 countsByYear W20160987722020 @default.
- W2016098772 countsByYear W20160987722021 @default.
- W2016098772 countsByYear W20160987722022 @default.
- W2016098772 countsByYear W20160987722023 @default.
- W2016098772 crossrefType "journal-article" @default.
- W2016098772 hasAuthorship W2016098772A5004995359 @default.
- W2016098772 hasAuthorship W2016098772A5019377238 @default.
- W2016098772 hasAuthorship W2016098772A5056911622 @default.
- W2016098772 hasAuthorship W2016098772A5076499540 @default.
- W2016098772 hasBestOaLocation W20160987721 @default.
- W2016098772 hasConcept C115624301 @default.
- W2016098772 hasConcept C147597530 @default.
- W2016098772 hasConcept C149635348 @default.
- W2016098772 hasConcept C159467904 @default.
- W2016098772 hasConcept C185592680 @default.
- W2016098772 hasConcept C41008148 @default.
- W2016098772 hasConcept C47701112 @default.
- W2016098772 hasConcept C55493867 @default.
- W2016098772 hasConcept C58312451 @default.
- W2016098772 hasConcept C59593255 @default.
- W2016098772 hasConcept C8010536 @default.
- W2016098772 hasConceptScore W2016098772C115624301 @default.
- W2016098772 hasConceptScore W2016098772C147597530 @default.
- W2016098772 hasConceptScore W2016098772C149635348 @default.
- W2016098772 hasConceptScore W2016098772C159467904 @default.
- W2016098772 hasConceptScore W2016098772C185592680 @default.
- W2016098772 hasConceptScore W2016098772C41008148 @default.
- W2016098772 hasConceptScore W2016098772C47701112 @default.
- W2016098772 hasConceptScore W2016098772C55493867 @default.
- W2016098772 hasConceptScore W2016098772C58312451 @default.
- W2016098772 hasConceptScore W2016098772C59593255 @default.
- W2016098772 hasConceptScore W2016098772C8010536 @default.
- W2016098772 hasIssue "11" @default.
- W2016098772 hasLocation W20160987721 @default.
- W2016098772 hasLocation W20160987722 @default.
- W2016098772 hasLocation W20160987723 @default.
- W2016098772 hasLocation W20160987724 @default.
- W2016098772 hasOpenAccess W2016098772 @default.
- W2016098772 hasPrimaryLocation W20160987721 @default.
- W2016098772 hasRelatedWork W1968806281 @default.
- W2016098772 hasRelatedWork W2023156907 @default.
- W2016098772 hasRelatedWork W2233610613 @default.
- W2016098772 hasRelatedWork W2360970307 @default.
- W2016098772 hasRelatedWork W2888679374 @default.
- W2016098772 hasRelatedWork W2893981628 @default.
- W2016098772 hasRelatedWork W3094899115 @default.
- W2016098772 hasRelatedWork W3095515585 @default.
- W2016098772 hasRelatedWork W4315498887 @default.
- W2016098772 hasRelatedWork W4378377190 @default.
- W2016098772 hasVolume "83" @default.
- W2016098772 isParatext "false" @default.
- W2016098772 isRetracted "false" @default.
- W2016098772 magId "2016098772" @default.
- W2016098772 workType "article" @default.