Rafaa Amen Kazem

Identification of Der p1 inhibitors: Combining AI-based QSAR, molecular docking, molecular dynamics simulations and quantum physics.

The integrated computational workflow identified Betrixaban as the most promising FDA-approved candidate for Der p1 inhibition based on its favorable overall binding affinity and stable protein complex, while Ceritinib demonstrated superior electronic interactions and hydrogen-bond stability that may support future lea...