FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2038262006> ?p ?o ?g. }

• W2038262006 endingPage "12687" @default.
• W2038262006 startingPage "12683" @default.
• W2038262006 abstract "Hydrogen bonds and their relative strengths in proteins are of importance for understanding protein structure and protein motions. The correct strength of such hydrogen bonds is experimentally known to vary greatly from ≈5–6 kcal/mol for the isolated bond to ≈0.5–1.5 kcal/mol for proteins in solution. To estimate these bond strengths, here we suggest a direct novel kinetic procedure. This analyzes the timing of the trajectories of a properly averaged dynamic ensemble. Here we study the observed rupture of these hydrogen bonds in a molecular dynamics calculation as an alternative to using thermodynamics. This calculation is performed for the isolated system and contrasted with results for water. We find that the activation energy for the rupture of the hydrogen bond in a β-sheet under isolated conditions is 4.76 kcal/mol, and the activation energy is 1.58 kcal/mol for the same β-sheet in water. These results are in excellent agreement with observations and suggest that such a direct calculation can be useful for the prediction of hydrogen bond strengths in various environments of interest." @default.
• W2038262006 created "2016-06-24" @default.
• W2038262006 creator A5000526270 @default.
• W2038262006 creator A5028103932 @default.
• W2038262006 creator A5085529318 @default.
• W2038262006 creator A5088523601 @default.
• W2038262006 date "2003-10-14" @default.
• W2038262006 modified "2023-10-18" @default.
• W2038262006 title "Energetics of hydrogen bonds in peptides" @default.
• W2038262006 cites W139306361 @default.
• W2038262006 cites W1975580333 @default.
• W2038262006 cites W1988529738 @default.
• W2038262006 cites W1991367967 @default.
• W2038262006 cites W2001938914 @default.
• W2038262006 cites W2012663156 @default.
• W2038262006 cites W2013311592 @default.
• W2038262006 cites W2015659061 @default.
• W2038262006 cites W2021350329 @default.
• W2038262006 cites W2022231452 @default.
• W2038262006 cites W2033558148 @default.
• W2038262006 cites W2034091220 @default.
• W2038262006 cites W2035936298 @default.
• W2038262006 cites W2050724948 @default.
• W2038262006 cites W2055125957 @default.
• W2038262006 cites W2065484428 @default.
• W2038262006 cites W2077421343 @default.
• W2038262006 cites W2078216776 @default.
• W2038262006 cites W2092002806 @default.
• W2038262006 cites W2094113671 @default.
• W2038262006 cites W2122633865 @default.
• W2038262006 cites W2126835369 @default.
• W2038262006 cites W2145015405 @default.
• W2038262006 cites W2162166182 @default.
• W2038262006 cites W2171194448 @default.
• W2038262006 doi "https://doi.org/10.1073/pnas.2133366100" @default.
• W2038262006 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/240678" @default.
• W2038262006 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/14559970" @default.
• W2038262006 hasPublicationYear "2003" @default.
• W2038262006 type Work @default.
• W2038262006 sameAs 2038262006 @default.
• W2038262006 citedByCount "308" @default.
• W2038262006 countsByYear W20382620062012 @default.
• W2038262006 countsByYear W20382620062013 @default.
• W2038262006 countsByYear W20382620062014 @default.
• W2038262006 countsByYear W20382620062015 @default.
• W2038262006 countsByYear W20382620062016 @default.
• W2038262006 countsByYear W20382620062017 @default.
• W2038262006 countsByYear W20382620062018 @default.
• W2038262006 countsByYear W20382620062019 @default.
• W2038262006 countsByYear W20382620062020 @default.
• W2038262006 countsByYear W20382620062021 @default.
• W2038262006 countsByYear W20382620062022 @default.
• W2038262006 countsByYear W20382620062023 @default.
• W2038262006 crossrefType "journal-article" @default.
• W2038262006 hasAuthorship W2038262006A5000526270 @default.
• W2038262006 hasAuthorship W2038262006A5028103932 @default.
• W2038262006 hasAuthorship W2038262006A5085529318 @default.
• W2038262006 hasAuthorship W2038262006A5088523601 @default.
• W2038262006 hasBestOaLocation W20382620061 @default.
• W2038262006 hasConcept C112887158 @default.
• W2038262006 hasConcept C121332964 @default.
• W2038262006 hasConcept C122032599 @default.
• W2038262006 hasConcept C135889238 @default.
• W2038262006 hasConcept C139286075 @default.
• W2038262006 hasConcept C147597530 @default.
• W2038262006 hasConcept C147789679 @default.
• W2038262006 hasConcept C159096172 @default.
• W2038262006 hasConcept C159467904 @default.
• W2038262006 hasConcept C178790620 @default.
• W2038262006 hasConcept C185592680 @default.
• W2038262006 hasConcept C2779227376 @default.
• W2038262006 hasConcept C32909587 @default.
• W2038262006 hasConcept C512968161 @default.
• W2038262006 hasConcept C59593255 @default.
• W2038262006 hasConcept C62520636 @default.
• W2038262006 hasConcept C68928338 @default.
• W2038262006 hasConcept C8010536 @default.
• W2038262006 hasConcept C95121573 @default.
• W2038262006 hasConcept C97355855 @default.
• W2038262006 hasConcept C97514900 @default.
• W2038262006 hasConceptScore W2038262006C112887158 @default.
• W2038262006 hasConceptScore W2038262006C121332964 @default.
• W2038262006 hasConceptScore W2038262006C122032599 @default.
• W2038262006 hasConceptScore W2038262006C135889238 @default.
• W2038262006 hasConceptScore W2038262006C139286075 @default.
• W2038262006 hasConceptScore W2038262006C147597530 @default.
• W2038262006 hasConceptScore W2038262006C147789679 @default.
• W2038262006 hasConceptScore W2038262006C159096172 @default.
• W2038262006 hasConceptScore W2038262006C159467904 @default.
• W2038262006 hasConceptScore W2038262006C178790620 @default.
• W2038262006 hasConceptScore W2038262006C185592680 @default.
• W2038262006 hasConceptScore W2038262006C2779227376 @default.
• W2038262006 hasConceptScore W2038262006C32909587 @default.
• W2038262006 hasConceptScore W2038262006C512968161 @default.
• W2038262006 hasConceptScore W2038262006C59593255 @default.
• W2038262006 hasConceptScore W2038262006C62520636 @default.
• W2038262006 hasConceptScore W2038262006C68928338 @default.
• W2038262006 hasConceptScore W2038262006C8010536 @default.

• next