Matches in SemOpenAlex for { <https://semopenalex.org/work/W2065649504> ?p ?o ?g. }
- W2065649504 endingPage "11593" @default.
- W2065649504 startingPage "11584" @default.
- W2065649504 abstract "The sn-2 acyl hydrolysis of phospholipids catalyzed by phospholipase A2 (PLA2) was investigated at the density functional B3LYP level. The PLA2 active site is represented by quantum-chemical models that are based on available X-ray crystal structures. The two still controversial catalytic triad and calcium-coordinated oxyanion reaction mechanisms were considered. Tetrahedral intermediate formation in the first mechanism and the cleavage of the C−O bond in the second one are the rate-determining steps. Both mechanisms, in the gas phase and in the protein-like environment, yielded potential energy profiles with low energy barriers and consequently the comparison did not indicate a clear preference for one or the other path. An alternative mechanism, based on some corrections to the previously suggested ones, provides for an optional pathway for the enzyme activity." @default.
- W2065649504 created "2016-06-24" @default.
- W2065649504 creator A5030230442 @default.
- W2065649504 creator A5039211794 @default.
- W2065649504 creator A5043607479 @default.
- W2065649504 date "2010-08-18" @default.
- W2065649504 modified "2023-09-27" @default.
- W2065649504 title "Favored Reaction Mechanism of Calcium-Dependent Phospholipase A<sub>2</sub>. Insights from Density Functional Exploration" @default.
- W2065649504 cites W1503820853 @default.
- W2065649504 cites W1525747952 @default.
- W2065649504 cites W1564235378 @default.
- W2065649504 cites W1570382416 @default.
- W2065649504 cites W1590150548 @default.
- W2065649504 cites W16075687 @default.
- W2065649504 cites W1856590789 @default.
- W2065649504 cites W1966792574 @default.
- W2065649504 cites W1969720891 @default.
- W2065649504 cites W1974347319 @default.
- W2065649504 cites W1979615065 @default.
- W2065649504 cites W1981245669 @default.
- W2065649504 cites W1982356449 @default.
- W2065649504 cites W1996348788 @default.
- W2065649504 cites W1996613562 @default.
- W2065649504 cites W1998712463 @default.
- W2065649504 cites W2002434117 @default.
- W2065649504 cites W2004823984 @default.
- W2065649504 cites W2005702395 @default.
- W2065649504 cites W2007841643 @default.
- W2065649504 cites W2012429206 @default.
- W2065649504 cites W2014767176 @default.
- W2065649504 cites W2015096311 @default.
- W2065649504 cites W2015942817 @default.
- W2065649504 cites W2018831615 @default.
- W2065649504 cites W2021502908 @default.
- W2065649504 cites W2021972315 @default.
- W2065649504 cites W2023271753 @default.
- W2065649504 cites W2024772856 @default.
- W2065649504 cites W2025945108 @default.
- W2065649504 cites W2027096182 @default.
- W2065649504 cites W2029867653 @default.
- W2065649504 cites W2030028201 @default.
- W2065649504 cites W2030520585 @default.
- W2065649504 cites W2032457877 @default.
- W2065649504 cites W2040710216 @default.
- W2065649504 cites W2045031982 @default.
- W2065649504 cites W2046412723 @default.
- W2065649504 cites W2048497567 @default.
- W2065649504 cites W2052406146 @default.
- W2065649504 cites W2053534643 @default.
- W2065649504 cites W2056402816 @default.
- W2065649504 cites W2058363175 @default.
- W2065649504 cites W2064532485 @default.
- W2065649504 cites W2066416080 @default.
- W2065649504 cites W2071713207 @default.
- W2065649504 cites W2073277507 @default.
- W2065649504 cites W2075662351 @default.
- W2065649504 cites W2076032365 @default.
- W2065649504 cites W2077576035 @default.
- W2065649504 cites W2079458939 @default.
- W2065649504 cites W2080550444 @default.
- W2065649504 cites W2082042677 @default.
- W2065649504 cites W2086957099 @default.
- W2065649504 cites W2088927230 @default.
- W2065649504 cites W2090732296 @default.
- W2065649504 cites W2090747098 @default.
- W2065649504 cites W2092439394 @default.
- W2065649504 cites W2092581034 @default.
- W2065649504 cites W2095039779 @default.
- W2065649504 cites W2095220663 @default.
- W2065649504 cites W2098851635 @default.
- W2065649504 cites W2099993962 @default.
- W2065649504 cites W2102239141 @default.
- W2065649504 cites W2111896197 @default.
- W2065649504 cites W2112463904 @default.
- W2065649504 cites W2112862672 @default.
- W2065649504 cites W2120436453 @default.
- W2065649504 cites W2129595368 @default.
- W2065649504 cites W2129603686 @default.
- W2065649504 cites W2143981217 @default.
- W2065649504 cites W2147159973 @default.
- W2065649504 cites W2152068835 @default.
- W2065649504 cites W2157883438 @default.
- W2065649504 cites W2160585315 @default.
- W2065649504 cites W2162517192 @default.
- W2065649504 cites W2412552238 @default.
- W2065649504 cites W27222542 @default.
- W2065649504 cites W4211175188 @default.
- W2065649504 cites W4211211849 @default.
- W2065649504 cites W4235728066 @default.
- W2065649504 cites W4244311005 @default.
- W2065649504 doi "https://doi.org/10.1021/jp1003819" @default.
- W2065649504 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/20718411" @default.
- W2065649504 hasPublicationYear "2010" @default.
- W2065649504 type Work @default.
- W2065649504 sameAs 2065649504 @default.
- W2065649504 citedByCount "5" @default.
- W2065649504 countsByYear W20656495042012 @default.
- W2065649504 countsByYear W20656495042013 @default.