FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2023526077> ?p ?o ?g. }

• W2023526077 endingPage "4835" @default.
• W2023526077 startingPage "4827" @default.
• W2023526077 abstract "Database survey in this study revealed that about one-third of the protein structures deposited in the Protein Data Bank (PDB) contain arginine–arginine (Arg–Arg) pairing with a carbon···carbon (CZ···CZ) interaction distance less than 5 Å. All the Arg–Arg pairings were found to bury in a polar environment composed of acidic residues, water molecules, and strong polarizable or negatively charged moieties from binding site or bound ligand. Most of the Arg–Arg pairings are solvent exposed and 68.3% Arg–Arg pairings are stabilized by acidic residues, forming Arg–Arg–Asp/Glu clusters. Density functional theory (DFT) was then employed to study the effect of environment on the pairing structures. It was revealed that Arg–Arg pairings become thermodynamically stable (about −1 kcal/mol) as the dielectric constant increases to 46.8 (DMSO), in good agreement with the results of the PDB survey. DFT calculations also demonstrated that perpendicular Arg–Arg pairing structures are favorable in low dielectric constant environment, while in high dielectric constant environment parallel structures are favorable. Additionally, the acidic residues can stabilize the Arg–Arg pairing structures to a large degree. Energy decomposition analysis of Arg–Arg pairings and Arg–Arg–Asp/Glu clusters showed that both solvation and electrostatic energies contribute significantly to their stability. The results reported herein should be very helpful for understanding Arg–Arg pairing and its application in drug design." @default.
• W2023526077 created "2016-06-24" @default.
• W2023526077 creator A5017011848 @default.
• W2023526077 creator A5017304177 @default.
• W2023526077 creator A5021110394 @default.
• W2023526077 creator A5023805779 @default.
• W2023526077 creator A5027367137 @default.
• W2023526077 creator A5030872628 @default.
• W2023526077 creator A5037908893 @default.
• W2023526077 creator A5059083216 @default.
• W2023526077 creator A5060697699 @default.
• W2023526077 date "2013-04-12" @default.
• W2023526077 modified "2023-09-27" @default.
• W2023526077 title "The Stabilization Effect of Dielectric Constant and Acidic Amino Acids on Arginine–Arginine (Arg–Arg) Pairings: Database Survey and Computational Studies" @default.
• W2023526077 cites W1964372234 @default.
• W2023526077 cites W1967820830 @default.
• W2023526077 cites W1970847702 @default.
• W2023526077 cites W1972326506 @default.
• W2023526077 cites W1977324916 @default.
• W2023526077 cites W1979395376 @default.
• W2023526077 cites W1987197378 @default.
• W2023526077 cites W1989438292 @default.
• W2023526077 cites W1992131053 @default.
• W2023526077 cites W2004110282 @default.
• W2023526077 cites W2011806241 @default.
• W2023526077 cites W2013317256 @default.
• W2023526077 cites W2026395206 @default.
• W2023526077 cites W2030676303 @default.
• W2023526077 cites W2042929422 @default.
• W2023526077 cites W2044591029 @default.
• W2023526077 cites W2050681249 @default.
• W2023526077 cites W2054830275 @default.
• W2023526077 cites W2070254043 @default.
• W2023526077 cites W2080868570 @default.
• W2023526077 cites W2090285118 @default.
• W2023526077 cites W2091699262 @default.
• W2023526077 cites W2093015919 @default.
• W2023526077 cites W2133447698 @default.
• W2023526077 cites W2146957568 @default.
• W2023526077 cites W2150345533 @default.
• W2023526077 cites W2153153865 @default.
• W2023526077 cites W2155464958 @default.
• W2023526077 cites W2168076619 @default.
• W2023526077 cites W2312749248 @default.
• W2023526077 cites W2313147148 @default.
• W2023526077 cites W2314373865 @default.
• W2023526077 cites W2318039949 @default.
• W2023526077 cites W2331743023 @default.
• W2023526077 cites W2331755240 @default.
• W2023526077 doi "https://doi.org/10.1021/jp4001658" @default.
• W2023526077 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/23581492" @default.
• W2023526077 hasPublicationYear "2013" @default.
• W2023526077 type Work @default.
• W2023526077 sameAs 2023526077 @default.
• W2023526077 citedByCount "32" @default.
• W2023526077 countsByYear W20235260772013 @default.
• W2023526077 countsByYear W20235260772014 @default.
• W2023526077 countsByYear W20235260772015 @default.
• W2023526077 countsByYear W20235260772016 @default.
• W2023526077 countsByYear W20235260772017 @default.
• W2023526077 countsByYear W20235260772018 @default.
• W2023526077 countsByYear W20235260772019 @default.
• W2023526077 countsByYear W20235260772020 @default.
• W2023526077 countsByYear W20235260772021 @default.
• W2023526077 countsByYear W20235260772022 @default.
• W2023526077 countsByYear W20235260772023 @default.
• W2023526077 crossrefType "journal-article" @default.
• W2023526077 hasAuthorship W2023526077A5017011848 @default.
• W2023526077 hasAuthorship W2023526077A5017304177 @default.
• W2023526077 hasAuthorship W2023526077A5021110394 @default.
• W2023526077 hasAuthorship W2023526077A5023805779 @default.
• W2023526077 hasAuthorship W2023526077A5027367137 @default.
• W2023526077 hasAuthorship W2023526077A5030872628 @default.
• W2023526077 hasAuthorship W2023526077A5037908893 @default.
• W2023526077 hasAuthorship W2023526077A5059083216 @default.
• W2023526077 hasAuthorship W2023526077A5060697699 @default.
• W2023526077 hasConcept C121332964 @default.
• W2023526077 hasConcept C133386390 @default.
• W2023526077 hasConcept C139287275 @default.
• W2023526077 hasConcept C14103023 @default.
• W2023526077 hasConcept C147597530 @default.
• W2023526077 hasConcept C178790620 @default.
• W2023526077 hasConcept C185592680 @default.
• W2023526077 hasConcept C192562407 @default.
• W2023526077 hasConcept C2777468819 @default.
• W2023526077 hasConcept C2780471494 @default.
• W2023526077 hasConcept C32909587 @default.
• W2023526077 hasConcept C49040817 @default.
• W2023526077 hasConcept C515207424 @default.
• W2023526077 hasConcept C54101563 @default.
• W2023526077 hasConcept C55493867 @default.
• W2023526077 hasConcept C62520636 @default.
• W2023526077 hasConcept C65556437 @default.
• W2023526077 hasConcept C71240020 @default.
• W2023526077 hasConcept C8010536 @default.
• W2023526077 hasConceptScore W2023526077C121332964 @default.
• W2023526077 hasConceptScore W2023526077C133386390 @default.
• W2023526077 hasConceptScore W2023526077C139287275 @default.

• next