FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3103402124> ?p ?o ?g. }

• W3103402124 abstract "Since the pioneering works of Pethig, Grant, and Wüthrich on a protein hydration layer, many studies have been devoted to find out if there are any “general and universal” characteristic features that can distinguish water molecules inside the protein hydration layer from bulk. Given that the surface itself varies from protein to protein, and that each surface facing the water is heterogeneous, search for universal features has been elusive. Here, we perform an atomistic molecular dynamics simulation in order to propose and demonstrate that such defining characteristics can emerge if we look not at average properties but the distribution of relaxation times. We present results of calculations of distributions of residence times and rotational relaxation times for four different protein-water systems and compare them with the same quantities in the bulk. The distributions in the hydration layer are unusually broad and log-normal in nature due to the simultaneous presence of peptide backbones that form weak hydrogen bonds, hydrophobic amino acid side chains that form no hydrogen bond, and charged polar groups that form a strong hydrogen bond with the surrounding water molecules. The broad distribution is responsible for the non-exponential dielectric response and also agrees with large specific heat of the hydration water. Our calculations reveal that while the average time constant is just about 2-3 times larger than that of bulk water, it provides a poor representation of the real behaviour. In particular, the average leads to the erroneous conclusion that water in the hydration layer is bulk-like. However, the observed and calculated lower value of static dielectric constant of hydration layer remained difficult to reconcile with the broad distribution observed in dynamical properties. We offer a plausible explanation of these unique properties." @default.
• W3103402124 created "2020-11-23" @default.
• W3103402124 creator A5045942018 @default.
• W3103402124 creator A5074387965 @default.
• W3103402124 creator A5083996598 @default.
• W3103402124 date "2017-07-11" @default.
• W3103402124 modified "2023-10-03" @default.
• W3103402124 title "Distinguishing dynamical features of water inside protein hydration layer: Distribution reveals what is hidden behind the average" @default.
• W3103402124 cites W1966078827 @default.
• W3103402124 cites W1968925848 @default.
• W3103402124 cites W1970661819 @default.
• W3103402124 cites W1973747581 @default.
• W3103402124 cites W1975105397 @default.
• W3103402124 cites W1977277458 @default.
• W3103402124 cites W1979128202 @default.
• W3103402124 cites W1984687296 @default.
• W3103402124 cites W1988146888 @default.
• W3103402124 cites W1993790038 @default.
• W3103402124 cites W1994146881 @default.
• W3103402124 cites W1997555833 @default.
• W3103402124 cites W2002559713 @default.
• W3103402124 cites W2010003862 @default.
• W3103402124 cites W2011896871 @default.
• W3103402124 cites W2023194376 @default.
• W3103402124 cites W2024060531 @default.
• W3103402124 cites W2025625972 @default.
• W3103402124 cites W2029667189 @default.
• W3103402124 cites W2031091369 @default.
• W3103402124 cites W2032638540 @default.
• W3103402124 cites W2038767538 @default.
• W3103402124 cites W2039246606 @default.
• W3103402124 cites W2041189078 @default.
• W3103402124 cites W2041332259 @default.
• W3103402124 cites W2041915412 @default.
• W3103402124 cites W2045773045 @default.
• W3103402124 cites W2046011150 @default.
• W3103402124 cites W2055442639 @default.
• W3103402124 cites W2057477511 @default.
• W3103402124 cites W2057742133 @default.
• W3103402124 cites W2060595131 @default.
• W3103402124 cites W2064108459 @default.
• W3103402124 cites W2066594795 @default.
• W3103402124 cites W2067174909 @default.
• W3103402124 cites W2069298274 @default.
• W3103402124 cites W2083185034 @default.
• W3103402124 cites W2088762067 @default.
• W3103402124 cites W2089608829 @default.
• W3103402124 cites W2090089545 @default.
• W3103402124 cites W2090472566 @default.
• W3103402124 cites W2091396661 @default.
• W3103402124 cites W2094493821 @default.
• W3103402124 cites W2104529244 @default.
• W3103402124 cites W2105120291 @default.
• W3103402124 cites W2106196609 @default.
• W3103402124 cites W2112947092 @default.
• W3103402124 cites W2113362737 @default.
• W3103402124 cites W2114479908 @default.
• W3103402124 cites W2119988927 @default.
• W3103402124 cites W2130397204 @default.
• W3103402124 cites W2130543047 @default.
• W3103402124 cites W2131736580 @default.
• W3103402124 cites W2132057925 @default.
• W3103402124 cites W2132222970 @default.
• W3103402124 cites W2133179696 @default.
• W3103402124 cites W2136553514 @default.
• W3103402124 cites W2142706107 @default.
• W3103402124 cites W2144927313 @default.
• W3103402124 cites W2153177791 @default.
• W3103402124 cites W2167429964 @default.
• W3103402124 cites W2170679859 @default.
• W3103402124 cites W2264709743 @default.
• W3103402124 cites W2313695827 @default.
• W3103402124 cites W2493347560 @default.
• W3103402124 cites W2529611427 @default.
• W3103402124 cites W2594816406 @default.
• W3103402124 cites W2611419564 @default.
• W3103402124 cites W2624274285 @default.
• W3103402124 doi "https://doi.org/10.1063/1.4990693" @default.
• W3103402124 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/28711050" @default.
• W3103402124 hasPublicationYear "2017" @default.
• W3103402124 type Work @default.
• W3103402124 sameAs 3103402124 @default.
• W3103402124 citedByCount "38" @default.
• W3103402124 countsByYear W31034021242017 @default.
• W3103402124 countsByYear W31034021242018 @default.
• W3103402124 countsByYear W31034021242019 @default.
• W3103402124 countsByYear W31034021242020 @default.
• W3103402124 countsByYear W31034021242021 @default.
• W3103402124 countsByYear W31034021242022 @default.
• W3103402124 countsByYear W31034021242023 @default.
• W3103402124 crossrefType "journal-article" @default.
• W3103402124 hasAuthorship W3103402124A5045942018 @default.
• W3103402124 hasAuthorship W3103402124A5074387965 @default.
• W3103402124 hasAuthorship W3103402124A5083996598 @default.
• W3103402124 hasBestOaLocation W31034021242 @default.
• W3103402124 hasConcept C110121322 @default.
• W3103402124 hasConcept C112887158 @default.
• W3103402124 hasConcept C119049451 @default.
• W3103402124 hasConcept C121332964 @default.
• W3103402124 hasConcept C133386390 @default.

• next