Matches in SemOpenAlex for { <https://semopenalex.org/work/W2000811098> ?p ?o ?g. }
Showing items 1 to 87 of
87
with 100 items per page.
- W2000811098 endingPage "145" @default.
- W2000811098 startingPage "129" @default.
- W2000811098 abstract "Conformational analysis for 24 arylpiperazines in their neutral and N4-protonated forms has been performed in the AM1 framework. Both these derivatives and eight reference compounds considered in this study are ligands of the 5-HT1A serotoninergic receptor. Quantum chemical reactivity indices, solvation free energies (AMSOL 5.0) and molecular modelling derived ad hoc size and shape descriptors have been computed and correlated with the literature 5-HT1A binding affinity data values. The quantitative size-shape affinity relationships obtained confirm the validity and versatility of the ad hoc descriptors employed. A different role has been postulated for the neutral and protonated forms of the arylpiperazines considered in the molecular recognition process of the 5-HT1A receptor binding site." @default.
- W2000811098 created "2016-06-24" @default.
- W2000811098 creator A5008111593 @default.
- W2000811098 creator A5017286452 @default.
- W2000811098 creator A5029369714 @default.
- W2000811098 creator A5033757111 @default.
- W2000811098 date "1997-06-01" @default.
- W2000811098 modified "2023-09-27" @default.
- W2000811098 title "Conformational analysis and theoretical quantitative size and shape-affinity relationships of N4-protonated N1-arylpiperazine 5-HT1A serotoninergic ligands" @default.
- W2000811098 cites W1965349885 @default.
- W2000811098 cites W1966772380 @default.
- W2000811098 cites W1972525192 @default.
- W2000811098 cites W1975550832 @default.
- W2000811098 cites W1982973525 @default.
- W2000811098 cites W1986315247 @default.
- W2000811098 cites W1990764246 @default.
- W2000811098 cites W2002362436 @default.
- W2000811098 cites W2011325946 @default.
- W2000811098 cites W2032100931 @default.
- W2000811098 cites W2043560137 @default.
- W2000811098 cites W2067349607 @default.
- W2000811098 cites W2068556558 @default.
- W2000811098 cites W2072873159 @default.
- W2000811098 cites W2077973224 @default.
- W2000811098 cites W2080320069 @default.
- W2000811098 cites W2084786399 @default.
- W2000811098 cites W2095474097 @default.
- W2000811098 cites W2161618882 @default.
- W2000811098 cites W2314661953 @default.
- W2000811098 cites W2953195743 @default.
- W2000811098 cites W4247263291 @default.
- W2000811098 doi "https://doi.org/10.1016/s0166-1280(96)04990-1" @default.
- W2000811098 hasPublicationYear "1997" @default.
- W2000811098 type Work @default.
- W2000811098 sameAs 2000811098 @default.
- W2000811098 citedByCount "11" @default.
- W2000811098 countsByYear W20008110982014 @default.
- W2000811098 crossrefType "journal-article" @default.
- W2000811098 hasAuthorship W2000811098A5008111593 @default.
- W2000811098 hasAuthorship W2000811098A5017286452 @default.
- W2000811098 hasAuthorship W2000811098A5029369714 @default.
- W2000811098 hasAuthorship W2000811098A5033757111 @default.
- W2000811098 hasConcept C145148216 @default.
- W2000811098 hasConcept C147597530 @default.
- W2000811098 hasConcept C148093993 @default.
- W2000811098 hasConcept C170493617 @default.
- W2000811098 hasConcept C178790620 @default.
- W2000811098 hasConcept C185592680 @default.
- W2000811098 hasConcept C2775864247 @default.
- W2000811098 hasConcept C30095370 @default.
- W2000811098 hasConcept C32909587 @default.
- W2000811098 hasConcept C37000724 @default.
- W2000811098 hasConcept C55493867 @default.
- W2000811098 hasConcept C71240020 @default.
- W2000811098 hasConceptScore W2000811098C145148216 @default.
- W2000811098 hasConceptScore W2000811098C147597530 @default.
- W2000811098 hasConceptScore W2000811098C148093993 @default.
- W2000811098 hasConceptScore W2000811098C170493617 @default.
- W2000811098 hasConceptScore W2000811098C178790620 @default.
- W2000811098 hasConceptScore W2000811098C185592680 @default.
- W2000811098 hasConceptScore W2000811098C2775864247 @default.
- W2000811098 hasConceptScore W2000811098C30095370 @default.
- W2000811098 hasConceptScore W2000811098C32909587 @default.
- W2000811098 hasConceptScore W2000811098C37000724 @default.
- W2000811098 hasConceptScore W2000811098C55493867 @default.
- W2000811098 hasConceptScore W2000811098C71240020 @default.
- W2000811098 hasIssue "1-3" @default.
- W2000811098 hasLocation W20008110981 @default.
- W2000811098 hasOpenAccess W2000811098 @default.
- W2000811098 hasPrimaryLocation W20008110981 @default.
- W2000811098 hasRelatedWork W2016032402 @default.
- W2000811098 hasRelatedWork W2021430585 @default.
- W2000811098 hasRelatedWork W2022579763 @default.
- W2000811098 hasRelatedWork W2033589463 @default.
- W2000811098 hasRelatedWork W2092434229 @default.
- W2000811098 hasRelatedWork W2754007442 @default.
- W2000811098 hasRelatedWork W2964245316 @default.
- W2000811098 hasRelatedWork W4200097115 @default.
- W2000811098 hasRelatedWork W4320856242 @default.
- W2000811098 hasRelatedWork W4327759255 @default.
- W2000811098 hasVolume "397" @default.
- W2000811098 isParatext "false" @default.
- W2000811098 isRetracted "false" @default.
- W2000811098 magId "2000811098" @default.
- W2000811098 workType "article" @default.