FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2004172022> ?p ?o ?g. }

• W2004172022 endingPage "384" @default.
• W2004172022 startingPage "375" @default.
• W2004172022 abstract "The two-dimensional ‘H NMR nuclear Overhauser experiment is a powerful method to determine the spatial proximity of protons within a macromolecule. Computation of molecular conformation can be based on a set of distances derived from NOESY cross-peak intensities (I-4). Often the cross-peak intensity is taken as inversely proportional to the sixth power of the distance between two spins. Distances so derived are only approximate since the cross-peak intensity due to direct crossrelaxation between spins i and j is modified by additional cross-relaxation with any spin k, especially if spin k exists such that rik < rij or rjk < rij. Accuracy is improved with a proper correction for spin diffusion and since longer distances are affected more than shorter ones, the range of distances can be extended to better define the conformational space covered by the molecule. Spin diffusion effects can be eliminated by two methods that involve the calculation of the NOE from a given structure (5, 6). Distances may be corrected by back-transformation of a combined experimental and calculated NOE matrix ( 7, 8). Alternatively, calculated NOE intensities may be compared directly to observed intensities and the initial structure can be adjusted in an iterative manner so as to minimize the difference between the two sets of NOES ( 9-1 I). However, the computational requirements for a complete NOE calculation are cumbersome and therefore approximate distances have been most often used to determine molecular structure in solution by NMR (4, 10). The first section of this paper evaluates three procedures for the best method to determine inter-proton distances from NOE data. Using the method of highest performance, inter-proton distances are then estimated for a DNA decamer, d ( TCTATCACCG) . d ( CGGTGATAGA ) , which comprises the left 10 base pairs ( LlO) of the bacteriophage X OR3 operator. An initial structure is derived from the basis set of approximate distances, along with a set of allowed torsion angles, by restrained molecular dynamics ( 12). The second part of the paper describes the incorporation of NOE-based refinement into NMR structure determination. The direct comparison between calculated and observed NOE intensities is used as an effective energy potential in a restrained molecular mechanics calculation. The calculated NOES are evaluated using a full matrix" @default.
• W2004172022 created "2016-06-24" @default.
• W2004172022 creator A5013854812 @default.
• W2004172022 creator A5067477469 @default.
• W2004172022 creator A5070294838 @default.
• W2004172022 date "1990-04-01" @default.
• W2004172022 modified "2023-10-16" @default.
• W2004172022 title "Distance measurement and structure refinement with NOE data" @default.
• W2004172022 cites W1503741534 @default.
• W2004172022 cites W1512996404 @default.
• W2004172022 cites W1969776708 @default.
• W2004172022 cites W1978743038 @default.
• W2004172022 cites W1995092400 @default.
• W2004172022 cites W2006422372 @default.
• W2004172022 cites W2006883013 @default.
• W2004172022 cites W2012368649 @default.
• W2004172022 cites W2020689529 @default.
• W2004172022 cites W2021971440 @default.
• W2004172022 cites W2025717854 @default.
• W2004172022 cites W2027772664 @default.
• W2004172022 cites W2036790115 @default.
• W2004172022 cites W2050294004 @default.
• W2004172022 cites W2057691786 @default.
• W2004172022 cites W2060675902 @default.
• W2004172022 doi "https://doi.org/10.1016/0022-2364(90)90015-2" @default.
• W2004172022 hasPublicationYear "1990" @default.
• W2004172022 type Work @default.
• W2004172022 sameAs 2004172022 @default.
• W2004172022 citedByCount "46" @default.
• W2004172022 countsByYear W20041720222014 @default.
• W2004172022 countsByYear W20041720222018 @default.
• W2004172022 countsByYear W20041720222021 @default.
• W2004172022 crossrefType "journal-article" @default.
• W2004172022 hasAuthorship W2004172022A5013854812 @default.
• W2004172022 hasAuthorship W2004172022A5067477469 @default.
• W2004172022 hasAuthorship W2004172022A5070294838 @default.
• W2004172022 hasConcept C185592680 @default.
• W2004172022 hasConcept C192562407 @default.
• W2004172022 hasConceptScore W2004172022C185592680 @default.
• W2004172022 hasConceptScore W2004172022C192562407 @default.
• W2004172022 hasIssue "2" @default.
• W2004172022 hasLocation W20041720221 @default.
• W2004172022 hasOpenAccess W2004172022 @default.
• W2004172022 hasPrimaryLocation W20041720221 @default.
• W2004172022 hasRelatedWork W1531601525 @default.
• W2004172022 hasRelatedWork W1990781990 @default.
• W2004172022 hasRelatedWork W2319480705 @default.
• W2004172022 hasRelatedWork W2384464875 @default.
• W2004172022 hasRelatedWork W2606230654 @default.
• W2004172022 hasRelatedWork W2607424097 @default.
• W2004172022 hasRelatedWork W2748952813 @default.
• W2004172022 hasRelatedWork W2899084033 @default.
• W2004172022 hasRelatedWork W2948807893 @default.
• W2004172022 hasRelatedWork W2778153218 @default.
• W2004172022 hasVolume "87" @default.
• W2004172022 isParatext "false" @default.
• W2004172022 isRetracted "false" @default.
• W2004172022 magId "2004172022" @default.
• W2004172022 workType "article" @default.