Aug 2026
In silico structure-based design of superior DYRK1A enzyme inhibitors.
A 3D-QSAR model developed using the experimentally determined inhibitory values of 30 potent compounds showed strong statistical performance and comprehensive QTAIM and IGMH analyses provided further insight into the nature and strength of intermolecular interactions.
Mahla Mehrparvar, Ali Ebrahimi, N. Mostafavi
· Computational biology and ch... · 0 citations