FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2076202230> ?p ?o ?g. }

• W2076202230 endingPage "24133" @default.
• W2076202230 startingPage "24121" @default.
• W2076202230 abstract "The dynamics and electronic absorption spectrum of enhanced cyan fluorescent protein (ECFP), a mutant of green fluorescent protein (GFP), have been studied by means of a 1 ns molecular dynamics (MD) simulation. The two X-ray conformations A' and B' of ECFP were considered. The chromophore was assumed to be neutral, and all titratable residues were taken in their standard protonation state at neutral pH. The protein was embedded in a box of water molecules (and counterions). The first result is that the two conformations A' and B' are found to be stable all along the simulation. Then, an analysis of the hydrogen-bond networks shows strong differences between the two conformations in the surroundings of the nitrogen atom of the indolic part of the chromophore. This is partly due to the imperfection in the beta barrel near the His148 residue, which allows the access of one solvent molecule inside the protein in conformation A'. Finally, quantum mechanical calculations of the electronic transition energies of the chromophore in the charge cloud of the protein and solvent water molecules were performed using the TDDFT method on 160 snapshots extracted every 5 ps of the MD trajectories. It is found that conformations A' and B' exhibit very similar spectra despite different H-bond networks involving the chromophore. This similarity is related to the weak charge transfer involved in the electronic transition and the weak electrostatic field created by ECFP near the chromophore, within the hypotheses made in the present simulation." @default.
• W2076202230 created "2016-06-24" @default.
• W2076202230 creator A5045056985 @default.
• W2076202230 creator A5045164816 @default.
• W2076202230 creator A5069884078 @default.
• W2076202230 creator A5075380777 @default.
• W2076202230 creator A5089273442 @default.
• W2076202230 creator A5089718945 @default.
• W2076202230 creator A5091028514 @default.
• W2076202230 date "2005-11-25" @default.
• W2076202230 modified "2023-10-18" @default.
• W2076202230 title "Cyan Fluorescent Protein: Molecular Dynamics, Simulations, and Electronic Absorption Spectrum" @default.
• W2076202230 cites W1626513324 @default.
• W2076202230 cites W1964612599 @default.
• W2076202230 cites W1971566099 @default.
• W2076202230 cites W1973501174 @default.
• W2076202230 cites W1992746337 @default.
• W2076202230 cites W1999572362 @default.
• W2076202230 cites W2001512062 @default.
• W2076202230 cites W2004451962 @default.
• W2076202230 cites W2006303855 @default.
• W2076202230 cites W2016747465 @default.
• W2076202230 cites W2024473190 @default.
• W2076202230 cites W2030239671 @default.
• W2076202230 cites W2035726898 @default.
• W2076202230 cites W2041526402 @default.
• W2076202230 cites W2044025325 @default.
• W2076202230 cites W2055125035 @default.
• W2076202230 cites W2059449943 @default.
• W2076202230 cites W2066661804 @default.
• W2076202230 cites W2067174909 @default.
• W2076202230 cites W2069949648 @default.
• W2076202230 cites W2078814013 @default.
• W2076202230 cites W2087433019 @default.
• W2076202230 cites W2087872750 @default.
• W2076202230 cites W2093590375 @default.
• W2076202230 cites W2108407770 @default.
• W2076202230 cites W2114079176 @default.
• W2076202230 cites W2119612945 @default.
• W2076202230 cites W2123847884 @default.
• W2076202230 cites W2127068865 @default.
• W2076202230 cites W2131288855 @default.
• W2076202230 cites W2134450923 @default.
• W2076202230 cites W2137902859 @default.
• W2076202230 cites W2138685960 @default.
• W2076202230 cites W2146521659 @default.
• W2076202230 cites W2156073913 @default.
• W2076202230 cites W2167353442 @default.
• W2076202230 cites W2949426221 @default.
• W2076202230 cites W2949753462 @default.
• W2076202230 doi "https://doi.org/10.1021/jp054656w" @default.
• W2076202230 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/16375404" @default.
• W2076202230 hasPublicationYear "2005" @default.
• W2076202230 type Work @default.
• W2076202230 sameAs 2076202230 @default.
• W2076202230 citedByCount "42" @default.
• W2076202230 countsByYear W20762022302012 @default.
• W2076202230 countsByYear W20762022302013 @default.
• W2076202230 countsByYear W20762022302015 @default.
• W2076202230 countsByYear W20762022302017 @default.
• W2076202230 countsByYear W20762022302018 @default.
• W2076202230 countsByYear W20762022302019 @default.
• W2076202230 countsByYear W20762022302021 @default.
• W2076202230 countsByYear W20762022302023 @default.
• W2076202230 crossrefType "journal-article" @default.
• W2076202230 hasAuthorship W2076202230A5045056985 @default.
• W2076202230 hasAuthorship W2076202230A5045164816 @default.
• W2076202230 hasAuthorship W2076202230A5069884078 @default.
• W2076202230 hasAuthorship W2076202230A5075380777 @default.
• W2076202230 hasAuthorship W2076202230A5089273442 @default.
• W2076202230 hasAuthorship W2076202230A5089718945 @default.
• W2076202230 hasAuthorship W2076202230A5091028514 @default.
• W2076202230 hasConcept C112887158 @default.
• W2076202230 hasConcept C121332964 @default.
• W2076202230 hasConcept C147597530 @default.
• W2076202230 hasConcept C159467904 @default.
• W2076202230 hasConcept C178790620 @default.
• W2076202230 hasConcept C185592680 @default.
• W2076202230 hasConcept C192468462 @default.
• W2076202230 hasConcept C32909587 @default.
• W2076202230 hasConcept C59593255 @default.
• W2076202230 hasConcept C62520636 @default.
• W2076202230 hasConcept C75473681 @default.
• W2076202230 hasConcept C8010536 @default.
• W2076202230 hasConcept C91881484 @default.
• W2076202230 hasConceptScore W2076202230C112887158 @default.
• W2076202230 hasConceptScore W2076202230C121332964 @default.
• W2076202230 hasConceptScore W2076202230C147597530 @default.
• W2076202230 hasConceptScore W2076202230C159467904 @default.
• W2076202230 hasConceptScore W2076202230C178790620 @default.
• W2076202230 hasConceptScore W2076202230C185592680 @default.
• W2076202230 hasConceptScore W2076202230C192468462 @default.
• W2076202230 hasConceptScore W2076202230C32909587 @default.
• W2076202230 hasConceptScore W2076202230C59593255 @default.
• W2076202230 hasConceptScore W2076202230C62520636 @default.
• W2076202230 hasConceptScore W2076202230C75473681 @default.
• W2076202230 hasConceptScore W2076202230C8010536 @default.
• W2076202230 hasConceptScore W2076202230C91881484 @default.

• next