Article

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

2020-01-13

Abstract excerpt

<h4>Background</h4> 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 GPCR that has been targeted for treating cardiac ischemia-reperfusion injuries, neuropathic pain and renal...

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Literature Corpus work: 05460940-943c-5a1a-955d-2d2366cf0e9c
DOI: 10.1101/2020.01.11.902809

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