Computational exploration of acefylline derivatives as MAO-B inhibitors for Parkinson’s disease: insights from molecular docking, DFT, ADMET, and molecular dynamics approaches
Recommended citation: Irfan, A., Ali, Y., Boulaamane, Y., Javed, S., Hameed, H., Zahoor, A. F., ... & Zaki, M. E. (2024). Computational exploration of acefylline derivatives as MAO-B inhibitors for Parkinson’s disease: insights from molecular docking, DFT, ADMET, and molecular dynamics approaches. *Frontiers in Chemistry, 12*, 1449165. /files/paper-12.pdf