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- W4386827276 abstract "Abstract Docking is a fundamental problem in computational biology and drug discovery that seeks to predict a ligand’s binding mode and affinity to a target protein. However, the large search space size and the complex-ity of the underlying physical interactions make docking a challenging task. Here, we review a docking method, based on the ant colony opti-mization algorithm, that ranks a set of candidate ligands by solving a minimization problem for each ligand individually. In addition, we pro-pose an augmented version that takes into account all energy functions collectively, allowing only one minimization problem to be solved. The results show that our modification outperforms in accuracy and efficiency." @default.
- W4386827276 created "2023-09-19" @default.
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- W4386827276 date "2023-09-18" @default.
- W4386827276 modified "2023-10-01" @default.
- W4386827276 title "Augmented Ant Colony Algorithm for Virtual Drug Discovery" @default.
- W4386827276 doi "https://doi.org/10.21203/rs.3.rs-2747350/v2" @default.
- W4386827276 hasPublicationYear "2023" @default.
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