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Improving virtual screening of G protein-coupled receptors via ligand-directed modeling

G protein-coupled receptors (GPCRs) play crucial roles in cell physiology and pathophysiology. There is increasing interest in using structural information for virtual screening (VS) of libraries and for structure-based drug design to identify novel agonist or antagonist leads. However, the sparse a...

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Опубликовано в: :PLoS Comput Biol
Главные авторы: Coudrat, Thomas, Simms, John, Christopoulos, Arthur, Wootten, Denise, Sexton, Patrick M.
Формат: Artigo
Язык:Inglês
Опубликовано: Public Library of Science 2017
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Online-ссылка:https://ncbi.nlm.nih.gov/pmc/articles/PMC5708846/
https://ncbi.nlm.nih.gov/pubmed/29131821
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pcbi.1005819
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