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Discovery of a novel kinase hinge binder fragment by dynamic undocking
One of the key motifs of type I kinase inhibitors is their interactions with the hinge region of ATP binding sites. These interactions contribute significantly to the potency of the inhibitors; however, only a tiny fraction of the available chemical space has been explored with kinase inhibitors rep...
Autores principales: | Rachman, Moira, Bajusz, Dávid, Hetényi, Anasztázia, Scarpino, Andrea, Merő, Balázs, Egyed, Attila, Buday, László, Barril, Xavier, Keserű, György M. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Royal Society of Chemistry
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7593776/ https://www.ncbi.nlm.nih.gov/pubmed/33479656 http://dx.doi.org/10.1039/c9md00519f |
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