Matches in SemOpenAlex for { <https://semopenalex.org/work/W2894740322> ?p ?o ?g. }
Showing items 1 to 89 of
89
with 100 items per page.
- W2894740322 endingPage "e00072" @default.
- W2894740322 startingPage "e00072" @default.
- W2894740322 abstract "A set of models for preliminary estimation of the inhibition constant values of potential ligands for the 4 acetylcholine muscarinic receptors M1-M4 was developed. The study uses an information about three-dimensional structure of human M1, M2 and M4 receptors, as well as the M3 receptor model, constructed by homology based on the structure of the rat M3 receptor. The Ki values for 42 compounds were obtained from the sources. Modeling of “protein-ligand” complexes was performed using molecular docking and molecular dynamics procedures. The component energy characteristics of the complexes were calculated from data obtained from simulation of molecular dynamics by the MM-PBSA/MM-GBSA methods. These characteristics were used as independent variables to construct the linear regression equations for pKi value predicting. The equations obtained for each receptors allow us to predict pKi with an average accuracy of 0.65 logarithmic units." @default.
- W2894740322 created "2018-10-12" @default.
- W2894740322 creator A5012533859 @default.
- W2894740322 creator A5046870173 @default.
- W2894740322 creator A5073668309 @default.
- W2894740322 date "2018-01-01" @default.
- W2894740322 modified "2023-10-13" @default.
- W2894740322 title "Computational Evaluation of Selectivity of Inhibition of Muscarinic Receptors M1-M4" @default.
- W2894740322 cites W1549357029 @default.
- W2894740322 cites W1969027187 @default.
- W2894740322 cites W2047144511 @default.
- W2894740322 cites W2050688876 @default.
- W2894740322 cites W2052072298 @default.
- W2894740322 cites W2067455153 @default.
- W2894740322 cites W2072370472 @default.
- W2894740322 cites W2118233996 @default.
- W2894740322 cites W2121629043 @default.
- W2894740322 cites W2123865099 @default.
- W2894740322 cites W2130479394 @default.
- W2894740322 cites W2136801463 @default.
- W2894740322 cites W2295245722 @default.
- W2894740322 cites W2563826840 @default.
- W2894740322 doi "https://doi.org/10.18097/bmcrm00072" @default.
- W2894740322 hasPublicationYear "2018" @default.
- W2894740322 type Work @default.
- W2894740322 sameAs 2894740322 @default.
- W2894740322 citedByCount "4" @default.
- W2894740322 countsByYear W28947403222020 @default.
- W2894740322 countsByYear W28947403222021 @default.
- W2894740322 crossrefType "journal-article" @default.
- W2894740322 hasAuthorship W2894740322A5012533859 @default.
- W2894740322 hasAuthorship W2894740322A5046870173 @default.
- W2894740322 hasAuthorship W2894740322A5073668309 @default.
- W2894740322 hasBestOaLocation W28947403221 @default.
- W2894740322 hasConcept C121332964 @default.
- W2894740322 hasConcept C12554922 @default.
- W2894740322 hasConcept C147597530 @default.
- W2894740322 hasConcept C169627665 @default.
- W2894740322 hasConcept C170493617 @default.
- W2894740322 hasConcept C178910836 @default.
- W2894740322 hasConcept C181199279 @default.
- W2894740322 hasConcept C185592680 @default.
- W2894740322 hasConcept C186060115 @default.
- W2894740322 hasConcept C33789571 @default.
- W2894740322 hasConcept C33923547 @default.
- W2894740322 hasConcept C55493867 @default.
- W2894740322 hasConcept C59593255 @default.
- W2894740322 hasConcept C70721500 @default.
- W2894740322 hasConcept C71240020 @default.
- W2894740322 hasConcept C86803240 @default.
- W2894740322 hasConcept C97355855 @default.
- W2894740322 hasConceptScore W2894740322C121332964 @default.
- W2894740322 hasConceptScore W2894740322C12554922 @default.
- W2894740322 hasConceptScore W2894740322C147597530 @default.
- W2894740322 hasConceptScore W2894740322C169627665 @default.
- W2894740322 hasConceptScore W2894740322C170493617 @default.
- W2894740322 hasConceptScore W2894740322C178910836 @default.
- W2894740322 hasConceptScore W2894740322C181199279 @default.
- W2894740322 hasConceptScore W2894740322C185592680 @default.
- W2894740322 hasConceptScore W2894740322C186060115 @default.
- W2894740322 hasConceptScore W2894740322C33789571 @default.
- W2894740322 hasConceptScore W2894740322C33923547 @default.
- W2894740322 hasConceptScore W2894740322C55493867 @default.
- W2894740322 hasConceptScore W2894740322C59593255 @default.
- W2894740322 hasConceptScore W2894740322C70721500 @default.
- W2894740322 hasConceptScore W2894740322C71240020 @default.
- W2894740322 hasConceptScore W2894740322C86803240 @default.
- W2894740322 hasConceptScore W2894740322C97355855 @default.
- W2894740322 hasIssue "3" @default.
- W2894740322 hasLocation W28947403221 @default.
- W2894740322 hasOpenAccess W2894740322 @default.
- W2894740322 hasPrimaryLocation W28947403221 @default.
- W2894740322 hasRelatedWork W1500542410 @default.
- W2894740322 hasRelatedWork W1518653219 @default.
- W2894740322 hasRelatedWork W1980551862 @default.
- W2894740322 hasRelatedWork W1985322242 @default.
- W2894740322 hasRelatedWork W2005074182 @default.
- W2894740322 hasRelatedWork W2010506933 @default.
- W2894740322 hasRelatedWork W2047041070 @default.
- W2894740322 hasRelatedWork W2080679265 @default.
- W2894740322 hasRelatedWork W2373356664 @default.
- W2894740322 hasRelatedWork W2409560350 @default.
- W2894740322 hasVolume "1" @default.
- W2894740322 isParatext "false" @default.
- W2894740322 isRetracted "false" @default.
- W2894740322 magId "2894740322" @default.
- W2894740322 workType "article" @default.