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Annotation of Allosteric Compounds to Enhance Bioactivity Modeling for Class A GPCRs

[Image: see text] Proteins often have both orthosteric and allosteric binding sites. Endogenous ligands, such as hormones and neurotransmitters, bind to the orthosteric site, while synthetic ligands may bind to orthosteric or allosteric sites, which has become a focal point in drug discovery. Usuall...

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Detalhes bibliográficos
Publicado no:J Chem Inf Model
Main Authors: Burggraaff, Lindsey, van Veen, Amber, Lam, Chi Chung, van Vlijmen, Herman W. T., IJzerman, Adriaan P., van Westen, Gerard J. P.
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2020
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7592116/
https://ncbi.nlm.nih.gov/pubmed/32931270
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.0c00695
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