FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2087287949> ?p ?o ?g. }

• W2087287949 endingPage "e1004157" @default.
• W2087287949 startingPage "e1004157" @default.
• W2087287949 abstract "Target identification is essential for drug design, drug-drug interaction prediction, dosage adjustment and side effect anticipation. Specifically, the knowledge of structural details is essential for understanding the mode of action of a compound on a target protein. Here, we present nAnnoLyze, a method for target identification that relies on the hypothesis that structurally similar binding sites bind similar ligands. nAnnoLyze integrates structural information into a bipartite network of interactions and similarities to predict structurally detailed compound-protein interactions at proteome scale. The method was benchmarked on a dataset of 6,282 pairs of known interacting ligand-target pairs reaching a 0.96 of area under the Receiver Operating Characteristic curve (AUC) when using the drug names as an input feature for the classifier, and a 0.70 of AUC for “anonymous” compounds or compounds not present in the training set. nAnnoLyze resulted in higher accuracies than its predecessor, AnnoLyze. We applied the method to predict interactions for all the compounds in the DrugBank database with each human protein structure and provide examples of target identification for known drugs against human diseases. The accuracy and applicability of our method to any compound indicate that a comparative docking approach such as nAnnoLyze enables large-scale annotation and analysis of compound–protein interactions and thus may benefit drug development." @default.
• W2087287949 created "2016-06-24" @default.
• W2087287949 creator A5082758634 @default.
• W2087287949 creator A5085923029 @default.
• W2087287949 date "2015-03-27" @default.
• W2087287949 modified "2023-10-18" @default.
• W2087287949 title "Ligand-Target Prediction by Structural Network Biology Using nAnnoLyze" @default.
• W2087287949 cites W1598853836 @default.
• W2087287949 cites W1971106435 @default.
• W2087287949 cites W1971618381 @default.
• W2087287949 cites W1972577475 @default.
• W2087287949 cites W1976745322 @default.
• W2087287949 cites W1976902852 @default.
• W2087287949 cites W1977282213 @default.
• W2087287949 cites W1978811317 @default.
• W2087287949 cites W1984014392 @default.
• W2087287949 cites W1984673823 @default.
• W2087287949 cites W1999613945 @default.
• W2087287949 cites W2000417339 @default.
• W2087287949 cites W2003324165 @default.
• W2087287949 cites W2009313526 @default.
• W2087287949 cites W2013057063 @default.
• W2087287949 cites W2013863297 @default.
• W2087287949 cites W2017838772 @default.
• W2087287949 cites W2018408116 @default.
• W2087287949 cites W2022609682 @default.
• W2087287949 cites W2032348348 @default.
• W2087287949 cites W2033591223 @default.
• W2087287949 cites W2034080889 @default.
• W2087287949 cites W2034549041 @default.
• W2087287949 cites W2042992947 @default.
• W2087287949 cites W2047544230 @default.
• W2087287949 cites W2048080607 @default.
• W2087287949 cites W2049656865 @default.
• W2087287949 cites W2055147198 @default.
• W2087287949 cites W2064154425 @default.
• W2087287949 cites W2070396671 @default.
• W2087287949 cites W2073788073 @default.
• W2087287949 cites W2077215912 @default.
• W2087287949 cites W2085833518 @default.
• W2087287949 cites W2093916754 @default.
• W2087287949 cites W2094999579 @default.
• W2087287949 cites W2103017472 @default.
• W2087287949 cites W2104812418 @default.
• W2087287949 cites W2105668062 @default.
• W2087287949 cites W2106029302 @default.
• W2087287949 cites W2112946416 @default.
• W2087287949 cites W2113951828 @default.
• W2087287949 cites W2122849532 @default.
• W2087287949 cites W2122995608 @default.
• W2087287949 cites W2126016150 @default.
• W2087287949 cites W2126671570 @default.
• W2087287949 cites W2131736388 @default.
• W2087287949 cites W2133990480 @default.
• W2087287949 cites W2138512826 @default.
• W2087287949 cites W2139516171 @default.
• W2087287949 cites W2152500739 @default.
• W2087287949 cites W2153582608 @default.
• W2087287949 cites W2153838454 @default.
• W2087287949 cites W2154718035 @default.
• W2087287949 cites W2156575953 @default.
• W2087287949 cites W2159482845 @default.
• W2087287949 cites W2166410137 @default.
• W2087287949 cites W2168770860 @default.
• W2087287949 cites W2169528473 @default.
• W2087287949 cites W2171484579 @default.
• W2087287949 cites W4240401512 @default.
• W2087287949 cites W4256409604 @default.
• W2087287949 cites W4295888250 @default.
• W2087287949 doi "https://doi.org/10.1371/journal.pcbi.1004157" @default.
• W2087287949 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/4376866" @default.
• W2087287949 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/25816344" @default.
• W2087287949 hasPublicationYear "2015" @default.
• W2087287949 type Work @default.
• W2087287949 sameAs 2087287949 @default.
• W2087287949 citedByCount "17" @default.
• W2087287949 countsByYear W20872879492015 @default.
• W2087287949 countsByYear W20872879492016 @default.
• W2087287949 countsByYear W20872879492017 @default.
• W2087287949 countsByYear W20872879492018 @default.
• W2087287949 countsByYear W20872879492019 @default.
• W2087287949 countsByYear W20872879492022 @default.
• W2087287949 crossrefType "journal-article" @default.
• W2087287949 hasAuthorship W2087287949A5082758634 @default.
• W2087287949 hasAuthorship W2087287949A5085923029 @default.
• W2087287949 hasBestOaLocation W20872879491 @default.
• W2087287949 hasConcept C104317684 @default.
• W2087287949 hasConcept C104397665 @default.
• W2087287949 hasConcept C109095088 @default.
• W2087287949 hasConcept C116834253 @default.
• W2087287949 hasConcept C154945302 @default.
• W2087287949 hasConcept C155261790 @default.
• W2087287949 hasConcept C159110408 @default.
• W2087287949 hasConcept C185592680 @default.
• W2087287949 hasConcept C2780035454 @default.
• W2087287949 hasConcept C2989108626 @default.
• W2087287949 hasConcept C41008148 @default.
• W2087287949 hasConcept C41685203 @default.

• next