Computational screening of natural products as tryptophan 2,3-dioxygenase inhibitors: Insights from CNN-based QSAR, molecular docking, ADMET, and molecular dynamics simulations
Recommended citation: Boulaamane, Y., Bolivar Avila, S., Hurtado, J. R., Touati, I., Sadoq, B.-E., Al-Mutairi, A. A., Irfan, A., Al-Hussain, S. A., Maurady, A., & Zaki, M. E. A. (2025). Computational screening of natural products as tryptophan 2,3-dioxygenase inhibitors: Insights from CNN-based QSAR, molecular docking, ADMET, and molecular dynamics simulations. Computers in Biology and Medicine, 191, 110199. /files/paper-16.pdf