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Retrospective Ensemble Docking of Allosteric Modulators in an Adenosine G-Protein-Coupled Receptor

BACKGROUND: Ensemble docking has proven useful in drug discovery and development. It increases the hit rate by incorporating receptor flexibility into molecular docking as demonstrated on important drug targets including G-protein-coupled receptors (GPCRs). Adenosine A(1) receptor (A(1)AR) is a key...

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Vydáno v:Biochim Biophys Acta Gen Subj
Hlavní autoři: Bhattarai, Apurba, Wang, Jinan, Miao, Yinglong
Médium: Artigo
Jazyk:Inglês
Vydáno: 2020
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC7261249/
https://ncbi.nlm.nih.gov/pubmed/32298791
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bbagen.2020.129615
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