FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2094154229> ?p ?o ?g. }

• W2094154229 endingPage "671" @default.
• W2094154229 startingPage "664" @default.
• W2094154229 abstract "Abstract The development and application of a computational protocol for conducting virtual screens of drug side interactions is described. A conventional drug‐docking algorithm (AutoDock) is used to conduct two separate studies. First, a series of docking simulations is performed by using guanosine diphosphate and adenosine diphosphate as prototype drugs with the goal of successfully differentiating known receptors from a large number of bait receptors. Using the electrostatic energy of the purine ring as a basis for discrimination allows the correct identification of receptors in blind studies with 100% specificity and 94% sensitivity. In a second study, similar methodology is used to investigate the binding of clinically relevant inhibitors (Gleevec, purvalanol A, and hymenialdisine) to a variety of protein kinase targets. Overall, excellent agreement between experimental and predicted preferences for kinase targets is obtained. An important conclusion from the latter study is that homology‐modeled structures of putative receptors may reasonably be used as targets for docking when directly solved crystal structures are not available. The prospects for routine application of the methodology as a means of identifying potential side interactions of candidate drugs are discussed. Proteins 2002;48:664–671. © 2002 Wiley‐Liss, Inc." @default.
• W2094154229 created "2016-06-24" @default.
• W2094154229 creator A5004422743 @default.
• W2094154229 creator A5015469682 @default.
• W2094154229 date "2002-07-30" @default.
• W2094154229 modified "2023-10-16" @default.
• W2094154229 title "Progress toward virtual screening for drug side effects" @default.
• W2094154229 cites W1596929908 @default.
• W2094154229 cites W1966495638 @default.
• W2094154229 cites W1977845138 @default.
• W2094154229 cites W1983066351 @default.
• W2094154229 cites W1985953075 @default.
• W2094154229 cites W1996307860 @default.
• W2094154229 cites W2010233441 @default.
• W2094154229 cites W2021497478 @default.
• W2094154229 cites W2027408247 @default.
• W2094154229 cites W2035292911 @default.
• W2094154229 cites W2044333879 @default.
• W2094154229 cites W2046847991 @default.
• W2094154229 cites W2051831487 @default.
• W2094154229 cites W2072489662 @default.
• W2094154229 cites W2077332797 @default.
• W2094154229 cites W2078653892 @default.
• W2094154229 cites W2081118632 @default.
• W2094154229 cites W2097981550 @default.
• W2094154229 cites W2103386568 @default.
• W2094154229 cites W2106762061 @default.
• W2094154229 cites W2114788392 @default.
• W2094154229 cites W2130479394 @default.
• W2094154229 cites W2131174104 @default.
• W2094154229 cites W2132717858 @default.
• W2094154229 cites W2147958276 @default.
• W2094154229 cites W2154046401 @default.
• W2094154229 cites W2158534713 @default.
• W2094154229 cites W2331174375 @default.
• W2094154229 cites W2403726559 @default.
• W2094154229 cites W280694366 @default.
• W2094154229 cites W4213149192 @default.
• W2094154229 doi "https://doi.org/10.1002/prot.10186" @default.
• W2094154229 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/12211034" @default.
• W2094154229 hasPublicationYear "2002" @default.
• W2094154229 type Work @default.
• W2094154229 sameAs 2094154229 @default.
• W2094154229 citedByCount "37" @default.
• W2094154229 countsByYear W20941542292012 @default.
• W2094154229 countsByYear W20941542292013 @default.
• W2094154229 countsByYear W20941542292014 @default.
• W2094154229 countsByYear W20941542292018 @default.
• W2094154229 countsByYear W20941542292021 @default.
• W2094154229 crossrefType "journal-article" @default.
• W2094154229 hasAuthorship W2094154229A5004422743 @default.
• W2094154229 hasAuthorship W2094154229A5015469682 @default.
• W2094154229 hasBestOaLocation W20941542291 @default.
• W2094154229 hasConcept C103697762 @default.
• W2094154229 hasConcept C104317684 @default.
• W2094154229 hasConcept C159110408 @default.
• W2094154229 hasConcept C169627665 @default.
• W2094154229 hasConcept C170493617 @default.
• W2094154229 hasConcept C181199279 @default.
• W2094154229 hasConcept C185592680 @default.
• W2094154229 hasConcept C2775905019 @default.
• W2094154229 hasConcept C2780035454 @default.
• W2094154229 hasConcept C2780152424 @default.
• W2094154229 hasConcept C41008148 @default.
• W2094154229 hasConcept C41685203 @default.
• W2094154229 hasConcept C55493867 @default.
• W2094154229 hasConcept C60644358 @default.
• W2094154229 hasConcept C70721500 @default.
• W2094154229 hasConcept C71924100 @default.
• W2094154229 hasConcept C74187038 @default.
• W2094154229 hasConcept C77319485 @default.
• W2094154229 hasConcept C86803240 @default.
• W2094154229 hasConcept C98274493 @default.
• W2094154229 hasConceptScore W2094154229C103697762 @default.
• W2094154229 hasConceptScore W2094154229C104317684 @default.
• W2094154229 hasConceptScore W2094154229C159110408 @default.
• W2094154229 hasConceptScore W2094154229C169627665 @default.
• W2094154229 hasConceptScore W2094154229C170493617 @default.
• W2094154229 hasConceptScore W2094154229C181199279 @default.
• W2094154229 hasConceptScore W2094154229C185592680 @default.
• W2094154229 hasConceptScore W2094154229C2775905019 @default.
• W2094154229 hasConceptScore W2094154229C2780035454 @default.
• W2094154229 hasConceptScore W2094154229C2780152424 @default.
• W2094154229 hasConceptScore W2094154229C41008148 @default.
• W2094154229 hasConceptScore W2094154229C41685203 @default.
• W2094154229 hasConceptScore W2094154229C55493867 @default.
• W2094154229 hasConceptScore W2094154229C60644358 @default.
• W2094154229 hasConceptScore W2094154229C70721500 @default.
• W2094154229 hasConceptScore W2094154229C71924100 @default.
• W2094154229 hasConceptScore W2094154229C74187038 @default.
• W2094154229 hasConceptScore W2094154229C77319485 @default.
• W2094154229 hasConceptScore W2094154229C86803240 @default.
• W2094154229 hasConceptScore W2094154229C98274493 @default.
• W2094154229 hasIssue "4" @default.
• W2094154229 hasLocation W20941542291 @default.
• W2094154229 hasLocation W20941542292 @default.
• W2094154229 hasOpenAccess W2094154229 @default.
• W2094154229 hasPrimaryLocation W20941542291 @default.

• next