Matches in SemOpenAlex for { <https://semopenalex.org/work/W614905178> ?p ?o ?g. }
- W614905178 abstract "In this chapter, the origin of the enormous catalytic power of enzymes is examined. It is argued that many hypotheses which address this issue cannot be verified on a detailed molecular level without a model that translates the three-dimensional protein structure to activation free energies and reaction rates. The empirical valence bond method in combination with free energy perturbation simulations is shown, by examining the specific case of the staphylococcal nuclease catalysed reaction, to provide a practical model for structure—catalysis correlation. The calculations reproduce the overall catalytic power of the enzyme and elucidate the roles of different catalytic factors, in particular the importance of electrostatic effects. Changes in the activation barrier caused by amino acid mutations as well as metal ion substitutions are evaluated and found to be in accord with experimentally observed trends. It is found that the reaction free energy barrier has its minimum with Ca2+ as the catalytic ion and that for more electrophilic ions, the barrier increases rapidly as the ion becomes smaller. The same type of free energy relationships that give rise to a rate optimum for Ca2+ in staphylococcal nuclease seem to be valid in other cases as well, and may indicate more general free energy relationships for metalloenzyme-catalysed reactions." @default.
- W614905178 created "2016-06-24" @default.
- W614905178 creator A5055674495 @default.
- W614905178 creator A5088665303 @default.
- W614905178 date "1993-01-01" @default.
- W614905178 modified "2023-10-17" @default.
- W614905178 title "Molecular recognition in the catalytic action of metallo-enzymes" @default.
- W614905178 cites W1022309144 @default.
- W614905178 cites W1963688013 @default.
- W614905178 cites W1969404422 @default.
- W614905178 cites W2002484456 @default.
- W614905178 cites W2004303971 @default.
- W614905178 cites W2008873087 @default.
- W614905178 cites W2015965140 @default.
- W614905178 cites W2020180057 @default.
- W614905178 cites W2025489455 @default.
- W614905178 cites W2029454121 @default.
- W614905178 cites W2038917819 @default.
- W614905178 cites W2050357762 @default.
- W614905178 cites W2052437655 @default.
- W614905178 cites W2063330692 @default.
- W614905178 cites W2063633257 @default.
- W614905178 cites W2067166301 @default.
- W614905178 cites W2067478482 @default.
- W614905178 cites W2070238198 @default.
- W614905178 cites W2072660673 @default.
- W614905178 cites W2074065589 @default.
- W614905178 cites W2074768610 @default.
- W614905178 cites W2084129060 @default.
- W614905178 cites W2085155760 @default.
- W614905178 cites W2086786922 @default.
- W614905178 cites W2087126377 @default.
- W614905178 cites W2087183253 @default.
- W614905178 cites W2094905385 @default.
- W614905178 cites W2095179527 @default.
- W614905178 cites W2108453057 @default.
- W614905178 cites W2160336334 @default.
- W614905178 cites W2168648583 @default.
- W614905178 cites W2323935980 @default.
- W614905178 cites W2328624712 @default.
- W614905178 cites W3159921398 @default.
- W614905178 cites W4231833111 @default.
- W614905178 cites W4243460845 @default.
- W614905178 doi "https://doi.org/10.1007/978-94-011-2168-2_5" @default.
- W614905178 hasPublicationYear "1993" @default.
- W614905178 type Work @default.
- W614905178 sameAs 614905178 @default.
- W614905178 citedByCount "0" @default.
- W614905178 crossrefType "book-chapter" @default.
- W614905178 hasAuthorship W614905178A5055674495 @default.
- W614905178 hasAuthorship W614905178A5088665303 @default.
- W614905178 hasConcept C145148216 @default.
- W614905178 hasConcept C147597530 @default.
- W614905178 hasConcept C159467904 @default.
- W614905178 hasConcept C161790260 @default.
- W614905178 hasConcept C162641036 @default.
- W614905178 hasConcept C178790620 @default.
- W614905178 hasConcept C181199279 @default.
- W614905178 hasConcept C185592680 @default.
- W614905178 hasConcept C2777271071 @default.
- W614905178 hasConcept C55493867 @default.
- W614905178 hasConcept C59593255 @default.
- W614905178 hasConcept C71240020 @default.
- W614905178 hasConceptScore W614905178C145148216 @default.
- W614905178 hasConceptScore W614905178C147597530 @default.
- W614905178 hasConceptScore W614905178C159467904 @default.
- W614905178 hasConceptScore W614905178C161790260 @default.
- W614905178 hasConceptScore W614905178C162641036 @default.
- W614905178 hasConceptScore W614905178C178790620 @default.
- W614905178 hasConceptScore W614905178C181199279 @default.
- W614905178 hasConceptScore W614905178C185592680 @default.
- W614905178 hasConceptScore W614905178C2777271071 @default.
- W614905178 hasConceptScore W614905178C55493867 @default.
- W614905178 hasConceptScore W614905178C59593255 @default.
- W614905178 hasConceptScore W614905178C71240020 @default.
- W614905178 hasLocation W6149051781 @default.
- W614905178 hasOpenAccess W614905178 @default.
- W614905178 hasPrimaryLocation W6149051781 @default.
- W614905178 hasRelatedWork W1034174331 @default.
- W614905178 hasRelatedWork W10990021 @default.
- W614905178 hasRelatedWork W125890277 @default.
- W614905178 hasRelatedWork W1564196320 @default.
- W614905178 hasRelatedWork W1584471180 @default.
- W614905178 hasRelatedWork W1965530213 @default.
- W614905178 hasRelatedWork W1990810768 @default.
- W614905178 hasRelatedWork W2032486811 @default.
- W614905178 hasRelatedWork W2059655832 @default.
- W614905178 hasRelatedWork W2070814042 @default.
- W614905178 hasRelatedWork W2078608462 @default.
- W614905178 hasRelatedWork W2099545317 @default.
- W614905178 hasRelatedWork W2135572322 @default.
- W614905178 hasRelatedWork W2149150054 @default.
- W614905178 hasRelatedWork W2322838120 @default.
- W614905178 hasRelatedWork W2500909873 @default.
- W614905178 hasRelatedWork W2736178248 @default.
- W614905178 hasRelatedWork W2888711598 @default.
- W614905178 hasRelatedWork W3206097483 @default.
- W614905178 hasRelatedWork W58065055 @default.
- W614905178 isParatext "false" @default.
- W614905178 isRetracted "false" @default.