In silico approaches to develop new phenyl-pyrimidines as glycogen synthase kinase 3 (GSK-3) inhibitors with halogen-bonding capabilities: 3D-QSAR CoMFA/CoMSIA, molecular docking and molecular dynamics studies.
| Autor: | Cabezas, David, Mellado, Guido, Espinoza, Nicolás, Gárate, José Antonio, Morales, César, Castro-Alvarez, Alejandro, Matos, Maria J., Mellado, Marco, Mella, Jaime |
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| Zdroj: | Journal of Biomolecular Structure & Dynamics; 2023, Vol. 41 Issue 22, p13250-13259, 10p |
| Databáze: | Complementary Index |
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