Meng, X. Y., Zhang, H. X., Mezei, M. & Cui, M. Molecular docking: a powerful approach for structure-based drug discovery. Curr. Comput. Aided Drug Des. 7, 146–157 (2011).
Google Scholar
Forli, S. et al. Computational protein-ligand docking and virtual drug screening with the AutoDock suite. Nat. Protoc. 11, 905–919 (2016).
Google Scholar
Lionta, E., Spyrou, G.,…
Article Source
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