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Quantitative prediction of selectivity between the A(1) and A(2A) adenosine receptors

The development of drugs is often hampered due to off-target interactions leading to adverse effects. Therefore, computational methods to assess the selectivity of ligands are of high interest. Currently, selectivity is often deduced from bioactivity predictions of a ligand for multiple targets (ind...

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Detalhes bibliográficos
Publicado no:J Cheminform
Main Authors: Burggraaff, Lindsey, van Vlijmen, Herman W. T., IJzerman, Adriaan P., van Westen, Gerard J. P.
Formato: Artigo
Idioma:Inglês
Publicado em: Springer International Publishing 2020
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7222572/
https://ncbi.nlm.nih.gov/pubmed/33431012
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-020-00438-3
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