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Chaos-embedded particle swarm optimization approach for protein-ligand docking and virtual screening

BACKGROUND: Protein-ligand docking programs are routinely used in structure-based drug design to find the optimal binding pose of a ligand in the protein’s active site. These programs are also used to identify potential drug candidates by ranking large sets of compounds. As more accurate and efficie...

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Publicat a:J Cheminform
Autors principals: Tai, Hio Kuan, Jusoh, Siti Azma, Siu, Shirley W. I.
Format: Artigo
Idioma:Inglês
Publicat: Springer International Publishing 2018
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC6755579/
https://ncbi.nlm.nih.gov/pubmed/30552524
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-018-0320-9
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