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Discovery of a Novel Chemotype of Tyrosine Kinase Inhibitors by Fragment-Based Docking and Molecular Dynamics
[Image: see text] We have discovered a novel chemical class of inhibitors of the EphB4 tyrosine kinase by fragment-based high-throughput docking followed by explicit solvent molecular dynamics simulations for assessment of the binding mode. The synthesis of a single derivative (compound 7) of the hi...
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| Hlavní autoři: | , , , , |
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| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
American
Chemical Society
2012
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| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4025670/ https://ncbi.nlm.nih.gov/pubmed/24900387 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ml3001984 |
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