Download PDFOpen PDF in browserComparison of Performance and Results of Autodock4 and Vina Virtual Screening SoftwareEasyChair Preprint 67354 pages•Date: September 29, 2021AbstractVirtual screening is a tool that allows to filter groups of substances to select those that have the best characteristics for the function of interest (Vuorinen et al., 2013). Docking can be used as a virtual screening tool, considering that compounds with higher affinity energy will present higher bioactivity (Khan et al., 2018). Predictions based on simulations are the result of applying physical formulas to predict the behavior of the protein and the ligand, the set of formulas is called the force field (Jo et al., 2014). The simulations have shown good predictive power and are widely used in the pharmaceutical industry for the design of new molecules with therapeutic potential (Prieto-Martínez et al., 2018). Keyphrases: Active Compound, AutoDock Vina, Docking, acetylcholinesterase enzyme, supercomputer, virtual screening
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