FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4205456735> ?p ?o ?g. }

• W4205456735 endingPage "2453" @default.
• W4205456735 startingPage "2441" @default.
• W4205456735 abstract "Fluorophores linked to the glucose/galactose-binding protein (GGBP) are a promising class of glucose sensors with potential application in medical devices for diabetes patients. Several different fluorophores at different positions in the protein were tested experimentally so far, but a deeper molecular understanding of their function is still missing. In this work, we use molecular dynamics simulations to investigate the mechanism of glucose binding in the GGBP-Badan triple mutant and make a comparison to the GGBP wild-type protein. The aim is to achieve a detailed molecular understanding of changes in the glucose binding site due to the mutations and their effect on glucose binding. Free simulations give an insight into the changes of the hydrogen-bonding network in the active site and into the mechanisms of glucose binding. Additionally, metadynamics simulations for wild type and mutant unravel the energetics of binding/unbinding in these proteins. Computed free energies for the opening of the binding pocket for the wild-type and the mutant agree well with the experimental data. Further, the simulations also give an insight into the changes of the chromophore conformations upon glucose binding, which can help to understand fluorescence changes. Therefore, the molecular details unravelled in this work may support effective optimisation strategies for the construction of more efficient glucose sensors." @default.
• W4205456735 created "2022-01-26" @default.
• W4205456735 creator A5011658361 @default.
• W4205456735 creator A5025171662 @default.
• W4205456735 creator A5026196545 @default.
• W4205456735 creator A5087962027 @default.
• W4205456735 date "2022-01-01" @default.
• W4205456735 modified "2023-10-05" @default.
• W4205456735 title "Unravelling the mechanism of glucose binding in a protein-based fluorescence probe: molecular dynamics simulation with a tailor-made charge model" @default.
• W4205456735 cites W1031578623 @default.
• W4205456735 cites W1594147709 @default.
• W4205456735 cites W1966078827 @default.
• W4205456735 cites W1968166922 @default.
• W4205456735 cites W1968439657 @default.
• W4205456735 cites W1971502132 @default.
• W4205456735 cites W1972784441 @default.
• W4205456735 cites W1976161355 @default.
• W4205456735 cites W1978498560 @default.
• W4205456735 cites W1981225934 @default.
• W4205456735 cites W1985292190 @default.
• W4205456735 cites W1991794210 @default.
• W4205456735 cites W1993950752 @default.
• W4205456735 cites W1994673901 @default.
• W4205456735 cites W1994905834 @default.
• W4205456735 cites W2001996470 @default.
• W4205456735 cites W2015688756 @default.
• W4205456735 cites W2022708539 @default.
• W4205456735 cites W2024867348 @default.
• W4205456735 cites W2027535430 @default.
• W4205456735 cites W2029667189 @default.
• W4205456735 cites W2031089624 @default.
• W4205456735 cites W2039559098 @default.
• W4205456735 cites W2041638382 @default.
• W4205456735 cites W2047571437 @default.
• W4205456735 cites W2048972564 @default.
• W4205456735 cites W2052044284 @default.
• W4205456735 cites W2057477511 @default.
• W4205456735 cites W2057806291 @default.
• W4205456735 cites W2067174909 @default.
• W4205456735 cites W2067601065 @default.
• W4205456735 cites W2081693079 @default.
• W4205456735 cites W2092077040 @default.
• W4205456735 cites W2097166370 @default.
• W4205456735 cites W2098943363 @default.
• W4205456735 cites W2117927779 @default.
• W4205456735 cites W2123161341 @default.
• W4205456735 cites W2131693592 @default.
• W4205456735 cites W2135550795 @default.
• W4205456735 cites W2146411229 @default.
• W4205456735 cites W2147993766 @default.
• W4205456735 cites W2156075974 @default.
• W4205456735 cites W2156440952 @default.
• W4205456735 cites W2156887624 @default.
• W4205456735 cites W2160544821 @default.
• W4205456735 cites W2161605421 @default.
• W4205456735 cites W2171268876 @default.
• W4205456735 cites W2175881464 @default.
• W4205456735 cites W2316320846 @default.
• W4205456735 cites W2327161550 @default.
• W4205456735 cites W2554448368 @default.
• W4205456735 cites W2604678812 @default.
• W4205456735 cites W2912553568 @default.
• W4205456735 cites W2921109641 @default.
• W4205456735 cites W2970740744 @default.
• W4205456735 cites W2973689450 @default.
• W4205456735 cites W3069883202 @default.
• W4205456735 cites W3206578902 @default.
• W4205456735 doi "https://doi.org/10.1039/d1cp03733a" @default.
• W4205456735 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/35019922" @default.
• W4205456735 hasPublicationYear "2022" @default.
• W4205456735 type Work @default.
• W4205456735 citedByCount "2" @default.
• W4205456735 countsByYear W42054567352022 @default.
• W4205456735 countsByYear W42054567352023 @default.
• W4205456735 crossrefType "journal-article" @default.
• W4205456735 hasAuthorship W4205456735A5011658361 @default.
• W4205456735 hasAuthorship W4205456735A5025171662 @default.
• W4205456735 hasAuthorship W4205456735A5026196545 @default.
• W4205456735 hasAuthorship W4205456735A5087962027 @default.
• W4205456735 hasBestOaLocation W42054567351 @default.
• W4205456735 hasConcept C104317684 @default.
• W4205456735 hasConcept C107824862 @default.
• W4205456735 hasConcept C112887158 @default.
• W4205456735 hasConcept C121332964 @default.
• W4205456735 hasConcept C12554922 @default.
• W4205456735 hasConcept C143065580 @default.
• W4205456735 hasConcept C147597530 @default.
• W4205456735 hasConcept C178790620 @default.
• W4205456735 hasConcept C185592680 @default.
• W4205456735 hasConcept C32909587 @default.
• W4205456735 hasConcept C55493867 @default.
• W4205456735 hasConcept C59593255 @default.
• W4205456735 hasConcept C62520636 @default.
• W4205456735 hasConcept C62752575 @default.
• W4205456735 hasConcept C86803240 @default.
• W4205456735 hasConcept C91881484 @default.
• W4205456735 hasConceptScore W4205456735C104317684 @default.
• W4205456735 hasConceptScore W4205456735C107824862 @default.

• next