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10.1080/07391102.2023.2183037 Summary Keywords acefylline derivatives, Parkinson’s disease, computer-aided drug design approach, MAO-B inhibitors, molecular docking, molecular dynamics simulations, ADMET, density functional theory studies Citation Irfan A, Zahoor AF, Boulaamane Y, Javed S, Hameed H, Maurady A, Muhammed MT, Ahmad S, Al-Mutairi AA, Shahzadi I, Al-Hussain SA and Zaki MEA (2024) Computational exploration of acefylline derivatives as MAO-B inhibitors for Parkinson’s disease: insights from molecular docking, DFT, ADMET, and molecular dynamics approaches
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