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VirtualFlow Ants—Ultra-Large Virtual Screenings with Artificial Intelligence Driven Docking Algorithm Based on Ant Colony Optimization

The docking program PLANTS, which is based on ant colony optimization (ACO) algorithm, has many advanced features for molecular docking. Among them are multiple scoring functions, the possibility to model explicit displaceable water molecules, and the inclusion of experimental constraints. Here, we...

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Detalles Bibliográficos
Autores principales:	Gorgulla, Christoph, Çınaroğlu, Süleyman Selim, Fischer, Patrick D., Fackeldey, Konstantin, Wagner, Gerhard, Arthanari, Haribabu
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8199267/ https://www.ncbi.nlm.nih.gov/pubmed/34071676 http://dx.doi.org/10.3390/ijms22115807

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