Supporting the Identification of Novel Fragment-Based Positive Allosteric Modulators Using a Supervised Molecular Dynamics Approach: A Retrospective Analysis Considering the Human A2A Adenosine Receptor as a Key Example

Structure-driven fragment-based (SDFB) approaches have provided efficient methods for the identification of novel drug candidates. This strategy has been largely applied in discovering several pharmacological ligand classes, including enzyme inhibitors, receptor antagonists and, more recently, also...

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Detalles Bibliográficos
Autores principales: Deganutti, Giuseppe, Moro, Stefano
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6154550/
https://www.ncbi.nlm.nih.gov/pubmed/28509867
http://dx.doi.org/10.3390/molecules22050818

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6154550/
https://www.ncbi.nlm.nih.gov/pubmed/28509867
http://dx.doi.org/10.3390/molecules22050818

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