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Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK (a) Shifts Mislead Popular Bioisosterism Concepts
Medicinal‐chemistry optimization follows strategies replacing functional groups and attaching larger substituents at a promising lead scaffold. Well‐established bioisosterism rules are considered, however, it is difficult to estimate whether the introduced modifications really match the required pro...
Autores principales: | Oebbeke, Matthias, Siefker, Christof, Wagner, Björn, Heine, Andreas, Klebe, Gerhard |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
John Wiley and Sons Inc.
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7821265/ https://www.ncbi.nlm.nih.gov/pubmed/33021032 http://dx.doi.org/10.1002/anie.202011295 |
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