Matches in SemOpenAlex for { <https://semopenalex.org/work/W2004303971> ?p ?o ?g. }
Showing items 1 to 99 of
99
with 100 items per page.
- W2004303971 endingPage "249" @default.
- W2004303971 startingPage "227" @default.
- W2004303971 abstract "Abstract A general method for detailed study of enzymic reactions is presented. The method considers the complete enzyme-substrate complex together with the surrounding solvent and evaluates all the different quantum mechanical and classical energy factors that can affect the reaction pathway. These factors include the quantum mechanical energies associated with bond cleavage and charge redistribution of the substrate and the classical energies of steric and electrostatic interactions between the substrate and the enzyme. The electrostatic polarization of the enzyme atoms and the orientation of the dipoles of the surrounding water molecules is simulated by a microscopic dielectric model. The solvation energy resulting from this polarization is considerable and must be included in any realistic calculation of chemical reactions involving anything more than an isolated molecule in vacuo . Without it, acidic groups can never become ionized and the charge distribution on the substrate will not be reasonable. The same dielectric model can also be used to study the reaction of the substrate in solution. In this way the reaction in solution can be compared with the enzymic reaction. In this paper we study the stability of the carbonium ion intermediate formed in the cleavage of a glycosidic bond by lysozyme. It is found that electrostatic stabilization is an important factor in increasing the rate of the reaction step that leads to the formation of the carbonium ion intermediate. Steric factors, such as the strain of the substrate on binding to lysozyme, do not seem to contribute significantly." @default.
- W2004303971 created "2016-06-24" @default.
- W2004303971 creator A5019080704 @default.
- W2004303971 creator A5088665303 @default.
- W2004303971 date "1976-05-01" @default.
- W2004303971 modified "2023-10-18" @default.
- W2004303971 title "Theoretical studies of enzymic reactions: Dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme" @default.
- W2004303971 cites W1602907823 @default.
- W2004303971 cites W1969488773 @default.
- W2004303971 cites W1976951969 @default.
- W2004303971 cites W1979313952 @default.
- W2004303971 cites W1982374246 @default.
- W2004303971 cites W2002590736 @default.
- W2004303971 cites W2009961424 @default.
- W2004303971 cites W2017784829 @default.
- W2004303971 cites W2021295097 @default.
- W2004303971 cites W2034012751 @default.
- W2004303971 cites W2043978283 @default.
- W2004303971 cites W2060183170 @default.
- W2004303971 cites W2060212880 @default.
- W2004303971 cites W2064651645 @default.
- W2004303971 cites W2064709291 @default.
- W2004303971 cites W2066677535 @default.
- W2004303971 cites W2073345101 @default.
- W2004303971 cites W2093696361 @default.
- W2004303971 cites W2093959164 @default.
- W2004303971 cites W2095179527 @default.
- W2004303971 cites W2155469125 @default.
- W2004303971 cites W2326203395 @default.
- W2004303971 cites W27727037 @default.
- W2004303971 doi "https://doi.org/10.1016/0022-2836(76)90311-9" @default.
- W2004303971 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/985660" @default.
- W2004303971 hasPublicationYear "1976" @default.
- W2004303971 type Work @default.
- W2004303971 sameAs 2004303971 @default.
- W2004303971 citedByCount "3907" @default.
- W2004303971 countsByYear W20043039712012 @default.
- W2004303971 countsByYear W20043039712013 @default.
- W2004303971 countsByYear W20043039712014 @default.
- W2004303971 countsByYear W20043039712015 @default.
- W2004303971 countsByYear W20043039712016 @default.
- W2004303971 countsByYear W20043039712017 @default.
- W2004303971 countsByYear W20043039712018 @default.
- W2004303971 countsByYear W20043039712019 @default.
- W2004303971 countsByYear W20043039712020 @default.
- W2004303971 countsByYear W20043039712021 @default.
- W2004303971 countsByYear W20043039712022 @default.
- W2004303971 countsByYear W20043039712023 @default.
- W2004303971 crossrefType "journal-article" @default.
- W2004303971 hasAuthorship W2004303971A5019080704 @default.
- W2004303971 hasAuthorship W2004303971A5088665303 @default.
- W2004303971 hasConcept C133386390 @default.
- W2004303971 hasConcept C145148216 @default.
- W2004303971 hasConcept C147597530 @default.
- W2004303971 hasConcept C167681012 @default.
- W2004303971 hasConcept C178790620 @default.
- W2004303971 hasConcept C185592680 @default.
- W2004303971 hasConcept C192562407 @default.
- W2004303971 hasConcept C201194858 @default.
- W2004303971 hasConcept C2776966407 @default.
- W2004303971 hasConcept C2910962006 @default.
- W2004303971 hasConcept C49040817 @default.
- W2004303971 hasConcept C55493867 @default.
- W2004303971 hasConcept C75473681 @default.
- W2004303971 hasConceptScore W2004303971C133386390 @default.
- W2004303971 hasConceptScore W2004303971C145148216 @default.
- W2004303971 hasConceptScore W2004303971C147597530 @default.
- W2004303971 hasConceptScore W2004303971C167681012 @default.
- W2004303971 hasConceptScore W2004303971C178790620 @default.
- W2004303971 hasConceptScore W2004303971C185592680 @default.
- W2004303971 hasConceptScore W2004303971C192562407 @default.
- W2004303971 hasConceptScore W2004303971C201194858 @default.
- W2004303971 hasConceptScore W2004303971C2776966407 @default.
- W2004303971 hasConceptScore W2004303971C2910962006 @default.
- W2004303971 hasConceptScore W2004303971C49040817 @default.
- W2004303971 hasConceptScore W2004303971C55493867 @default.
- W2004303971 hasConceptScore W2004303971C75473681 @default.
- W2004303971 hasIssue "2" @default.
- W2004303971 hasLocation W20043039711 @default.
- W2004303971 hasLocation W20043039712 @default.
- W2004303971 hasOpenAccess W2004303971 @default.
- W2004303971 hasPrimaryLocation W20043039711 @default.
- W2004303971 hasRelatedWork W2004303971 @default.
- W2004303971 hasRelatedWork W2012602682 @default.
- W2004303971 hasRelatedWork W2102293398 @default.
- W2004303971 hasRelatedWork W2329722543 @default.
- W2004303971 hasRelatedWork W2344209642 @default.
- W2004303971 hasRelatedWork W2953125207 @default.
- W2004303971 hasRelatedWork W3200462162 @default.
- W2004303971 hasRelatedWork W4233108340 @default.
- W2004303971 hasRelatedWork W2463810949 @default.
- W2004303971 hasRelatedWork W2470468744 @default.
- W2004303971 hasVolume "103" @default.
- W2004303971 isParatext "false" @default.
- W2004303971 isRetracted "false" @default.
- W2004303971 magId "2004303971" @default.
- W2004303971 workType "article" @default.