FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2022341944> ?p ?o ?g. }

• W2022341944 endingPage "254" @default.
• W2022341944 startingPage "235" @default.
• W2022341944 abstract "This work is the first in a series devoted to applying mode coupling diffusion theory to the derivation of local dynamics properties of proteins in solution. The first-order mode-coupling approximation, or optimized Rouse–Zimm local dynamics (ORZLD), is applied here to derive the rotational dynamics of the bonds and compare the calculated with the experimental nmr 15N spin–lattice relaxation time behavior of the vnd/NK-2 homeodomain from Drosophila melanogaster. The starting point for the calculations is the experimental three-dimensional structure of the homeodomain determined by multidimensional nmr spectroscopy. The results of the computations are compared with experimentally measured 15N spin–lattice relaxation times T1, at 34.5 and 60.8 MHz, to check the first-order approximation. To estimate the relative importance of internal and overall rotation, both rigid and fluctuating dynamic models are examined, with fluctuations evaluated using molecular dynamics (MD) simulations. The correlation times for the fundamental bond vector time correlation function and for the second-order bond orientational TCF are obtained as a function of the residue number for vnd/NK-2. The stability of the corresponding local dynamics pattern for the fluctuating structure as a function of the length of the MD trajectory is presented. Diffusive dynamics, which is essentially free of model parameters even at first order in the mode-coupling diffusion approach, confirm that local dynamics of proteins can be described in terms of rotational diffusion of a fluctuating quasi-rigid structure. The comparison with the nmr data shows that the first-order mode coupling diffusion approximation accounts for the correct order of magnitude of the results and of important qualitative aspects of the data sensitive to conformational changes. Indications are obtained from this study to efficiently extend the theory to higher order in the mode-coupling expansion. These results demonstrate the promise of the mode-coupling approach, where the local dynamics of proteins is described in terms of rotational diffusion of a fluctuating quasi-rigid structure, to analyze nmr spin–lattice relaxation behavior. © 1999 John Wiley & Sons, Inc. Biopoly 49: 235–254, 1999" @default.
• W2022341944 created "2016-06-24" @default.
• W2022341944 creator A5011156938 @default.
• W2022341944 creator A5030321121 @default.
• W2022341944 creator A5047089368 @default.
• W2022341944 creator A5063346260 @default.
• W2022341944 creator A5065084938 @default.
• W2022341944 creator A5079329601 @default.
• W2022341944 creator A5087969957 @default.
• W2022341944 date "1999-03-01" @default.
• W2022341944 modified "2023-09-23" @default.
• W2022341944 title "Smoluchowski dynamics of the vnd/NK-2 homeodomain fromDrosophila melanogaster: First-order mode-coupling approximation" @default.
• W2022341944 cites W189097019 @default.
• W2022341944 cites W1968634354 @default.
• W2022341944 cites W1968807578 @default.
• W2022341944 cites W1971427312 @default.
• W2022341944 cites W1972017216 @default.
• W2022341944 cites W1976499671 @default.
• W2022341944 cites W1981964680 @default.
• W2022341944 cites W1993327079 @default.
• W2022341944 cites W2007802553 @default.
• W2022341944 cites W2007995903 @default.
• W2022341944 cites W2011962761 @default.
• W2022341944 cites W2020590063 @default.
• W2022341944 cites W2025717854 @default.
• W2022341944 cites W2035687084 @default.
• W2022341944 cites W2040910893 @default.
• W2022341944 cites W2041629696 @default.
• W2022341944 cites W2045169794 @default.
• W2022341944 cites W2046121285 @default.
• W2022341944 cites W2046478451 @default.
• W2022341944 cites W2049064186 @default.
• W2022341944 cites W2049796509 @default.
• W2022341944 cites W2055412043 @default.
• W2022341944 cites W2058905092 @default.
• W2022341944 cites W2060911032 @default.
• W2022341944 cites W2061111138 @default.
• W2022341944 cites W2068686003 @default.
• W2022341944 cites W2072789222 @default.
• W2022341944 cites W2085550698 @default.
• W2022341944 cites W2086250515 @default.
• W2022341944 cites W2100816704 @default.
• W2022341944 cites W2106140689 @default.
• W2022341944 cites W2141378441 @default.
• W2022341944 cites W2146084836 @default.
• W2022341944 cites W2169821755 @default.
• W2022341944 cites W2905826917 @default.
• W2022341944 cites W4240788980 @default.
• W2022341944 cites W4254829742 @default.
• W2022341944 cites W4299790875 @default.
• W2022341944 cites W1989501717 @default.
• W2022341944 doi "https://doi.org/10.1002/(sici)1097-0282(199903)49:3<235::aid-bip5>3.0.co;2-7" @default.
• W2022341944 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/9990841" @default.
• W2022341944 hasPublicationYear "1999" @default.
• W2022341944 type Work @default.
• W2022341944 sameAs 2022341944 @default.
• W2022341944 citedByCount "12" @default.
• W2022341944 countsByYear W20223419442012 @default.
• W2022341944 crossrefType "journal-article" @default.
• W2022341944 hasAuthorship W2022341944A5011156938 @default.
• W2022341944 hasAuthorship W2022341944A5030321121 @default.
• W2022341944 hasAuthorship W2022341944A5047089368 @default.
• W2022341944 hasAuthorship W2022341944A5063346260 @default.
• W2022341944 hasAuthorship W2022341944A5065084938 @default.
• W2022341944 hasAuthorship W2022341944A5079329601 @default.
• W2022341944 hasAuthorship W2022341944A5087969957 @default.
• W2022341944 hasConcept C121332964 @default.
• W2022341944 hasConcept C121864883 @default.
• W2022341944 hasConcept C127413603 @default.
• W2022341944 hasConcept C131584629 @default.
• W2022341944 hasConcept C147597530 @default.
• W2022341944 hasConcept C15744967 @default.
• W2022341944 hasConcept C185592680 @default.
• W2022341944 hasConcept C24890656 @default.
• W2022341944 hasConcept C2776029896 @default.
• W2022341944 hasConcept C2781204021 @default.
• W2022341944 hasConcept C41999313 @default.
• W2022341944 hasConcept C59593255 @default.
• W2022341944 hasConcept C77805123 @default.
• W2022341944 hasConcept C78519656 @default.
• W2022341944 hasConceptScore W2022341944C121332964 @default.
• W2022341944 hasConceptScore W2022341944C121864883 @default.
• W2022341944 hasConceptScore W2022341944C127413603 @default.
• W2022341944 hasConceptScore W2022341944C131584629 @default.
• W2022341944 hasConceptScore W2022341944C147597530 @default.
• W2022341944 hasConceptScore W2022341944C15744967 @default.
• W2022341944 hasConceptScore W2022341944C185592680 @default.
• W2022341944 hasConceptScore W2022341944C24890656 @default.
• W2022341944 hasConceptScore W2022341944C2776029896 @default.
• W2022341944 hasConceptScore W2022341944C2781204021 @default.
• W2022341944 hasConceptScore W2022341944C41999313 @default.
• W2022341944 hasConceptScore W2022341944C59593255 @default.
• W2022341944 hasConceptScore W2022341944C77805123 @default.
• W2022341944 hasConceptScore W2022341944C78519656 @default.
• W2022341944 hasIssue "3" @default.
• W2022341944 hasLocation W20223419441 @default.
• W2022341944 hasLocation W20223419442 @default.
• W2022341944 hasOpenAccess W2022341944 @default.

• next