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Determining cysteines available for covalent inhibition across the human kinome
Covalently bound protein kinase inhibitors have been frequently designed to target non-catalytic cysteines at the ATP binding site. Thus, it is important to know if a given cysteine can form a covalent bond. Here we combine a function-site interaction fingerprint method and DFT calculations to deter...
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| Publicado no: | J Med Chem |
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| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5493210/ https://ncbi.nlm.nih.gov/pubmed/28326775 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jmedchem.6b01815 |
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