Augmented ant colony algorithm for virtual drug discovery

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 complexity of the underlying physical interactions make docking a challenging task. Here, we revie...

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Veröffentlicht in:	Journal of mathematical chemistry 2024-02, Vol.62 (2), p.367-385
Hauptverfasser:	Donati, Luca, Fackeldey, Konstantin, Weber, Marcus
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Ant colony optimization Chemistry Chemistry and Materials Science Docking Ligands Math. Applications in Chemistry Original Paper Physical Chemistry Theoretical and Computational Chemistry
Online-Zugang:	Volltext
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