Matches in SemOpenAlex for { <https://semopenalex.org/work/W2586814084> ?p ?o ?g. }
- W2586814084 abstract "Antibody-antigen complexes challenge our understanding, as analyses to date failed to unveil the key determinants of binding affinity and interaction specificity. We partially fill this gap based on novel quantitative analyses using two standardized databases, the IMGT/3Dstructure-DB and the structure affinity benchmark. First, we introduce a statistical analysis of interfaces which enables the classification of ligand types (protein, peptide, and chemical; cross-validated classification error of 9.6%) and yield binding affinity predictions of unprecedented accuracy (median absolute error of 0.878 kcal/mol). Second, we exploit the contributions made by CDRs in terms of position at the interface and atomic packing properties to show that in general, VH CDR3 and VL CDR3 make dominant contributions to the binding affinity, a fact also shown to be consistent with the enthalpy-entropy compensation associated with preconfiguration of CDR3. Our work suggests that the affinity prediction problem could be partially solved from databases of high resolution crystal structures of complexes with known affinity." @default.
- W2586814084 created "2017-02-17" @default.
- W2586814084 creator A5027123481 @default.
- W2586814084 creator A5029454516 @default.
- W2586814084 creator A5058352965 @default.
- W2586814084 creator A5080170693 @default.
- W2586814084 date "2017-02-09" @default.
- W2586814084 modified "2023-10-18" @default.
- W2586814084 title "Novel Structural Parameters of Ig–Ag Complexes Yield a Quantitative Description of Interaction Specificity and Binding Affinity" @default.
- W2586814084 cites W1484867920 @default.
- W2586814084 cites W1500352957 @default.
- W2586814084 cites W1538000071 @default.
- W2586814084 cites W1572242003 @default.
- W2586814084 cites W1591808469 @default.
- W2586814084 cites W1892185422 @default.
- W2586814084 cites W1915490970 @default.
- W2586814084 cites W1948562438 @default.
- W2586814084 cites W1967965427 @default.
- W2586814084 cites W1978499958 @default.
- W2586814084 cites W1980316342 @default.
- W2586814084 cites W1982679430 @default.
- W2586814084 cites W1989231165 @default.
- W2586814084 cites W1993955625 @default.
- W2586814084 cites W1998063251 @default.
- W2586814084 cites W2000861313 @default.
- W2586814084 cites W2010612779 @default.
- W2586814084 cites W2014379402 @default.
- W2586814084 cites W2015045364 @default.
- W2586814084 cites W2017765436 @default.
- W2586814084 cites W2019283330 @default.
- W2586814084 cites W2026979552 @default.
- W2586814084 cites W2031772330 @default.
- W2586814084 cites W2033198800 @default.
- W2586814084 cites W2035471382 @default.
- W2586814084 cites W2038858598 @default.
- W2586814084 cites W2039381999 @default.
- W2586814084 cites W2040405646 @default.
- W2586814084 cites W2042079029 @default.
- W2586814084 cites W2049275721 @default.
- W2586814084 cites W2058017150 @default.
- W2586814084 cites W2058493142 @default.
- W2586814084 cites W2058527555 @default.
- W2586814084 cites W2061766263 @default.
- W2586814084 cites W2070505228 @default.
- W2586814084 cites W2074534136 @default.
- W2586814084 cites W2075770210 @default.
- W2586814084 cites W2081290596 @default.
- W2586814084 cites W2082660881 @default.
- W2586814084 cites W2082947088 @default.
- W2586814084 cites W2083028331 @default.
- W2586814084 cites W2091477384 @default.
- W2586814084 cites W2091537338 @default.
- W2586814084 cites W2094225605 @default.
- W2586814084 cites W2094967734 @default.
- W2586814084 cites W2096914244 @default.
- W2586814084 cites W2105556561 @default.
- W2586814084 cites W2110036226 @default.
- W2586814084 cites W2112194058 @default.
- W2586814084 cites W2123677039 @default.
- W2586814084 cites W2130390259 @default.
- W2586814084 cites W2132625528 @default.
- W2586814084 cites W2142796125 @default.
- W2586814084 cites W2143467722 @default.
- W2586814084 cites W2144685448 @default.
- W2586814084 cites W2150192011 @default.
- W2586814084 cites W2161975439 @default.
- W2586814084 cites W2165531467 @default.
- W2586814084 cites W2167795220 @default.
- W2586814084 cites W2169092688 @default.
- W2586814084 cites W2170343411 @default.
- W2586814084 cites W2303810353 @default.
- W2586814084 cites W2512372054 @default.
- W2586814084 cites W4229892776 @default.
- W2586814084 cites W96708225 @default.
- W2586814084 doi "https://doi.org/10.3389/fimmu.2017.00034" @default.
- W2586814084 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/5298999" @default.
- W2586814084 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/28232828" @default.
- W2586814084 hasPublicationYear "2017" @default.
- W2586814084 type Work @default.
- W2586814084 sameAs 2586814084 @default.
- W2586814084 citedByCount "19" @default.
- W2586814084 countsByYear W25868140842017 @default.
- W2586814084 countsByYear W25868140842018 @default.
- W2586814084 countsByYear W25868140842019 @default.
- W2586814084 countsByYear W25868140842020 @default.
- W2586814084 countsByYear W25868140842021 @default.
- W2586814084 countsByYear W25868140842022 @default.
- W2586814084 countsByYear W25868140842023 @default.
- W2586814084 crossrefType "journal-article" @default.
- W2586814084 hasAuthorship W2586814084A5027123481 @default.
- W2586814084 hasAuthorship W2586814084A5029454516 @default.
- W2586814084 hasAuthorship W2586814084A5058352965 @default.
- W2586814084 hasAuthorship W2586814084A5080170693 @default.
- W2586814084 hasBestOaLocation W25868140841 @default.
- W2586814084 hasConcept C107824862 @default.
- W2586814084 hasConcept C116569031 @default.
- W2586814084 hasConcept C170493617 @default.
- W2586814084 hasConcept C185592680 @default.
- W2586814084 hasConcept C55493867 @default.
- W2586814084 hasConcept C70721500 @default.