Accelerating the Screening of Small Peptide Ligands by Combining Peptide-Protein Docking and Machine Learning

This research introduces a novel pipeline that couples machine learning (ML), and molecular docking for accelerating the process of small peptide ligand screening through the prediction of peptide-protein docking. Eight ML algorithms were analyzed for their potential. Notably, Light Gradient Boostin...

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Detalles Bibliográficos
Autores principales: Codina, Josep-Ramon, Mascini, Marcello, Dikici, Emre, Deo, Sapna K., Daunert, Sylvia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10419121/
https://www.ncbi.nlm.nih.gov/pubmed/37569520
http://dx.doi.org/10.3390/ijms241512144

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10419121/
https://www.ncbi.nlm.nih.gov/pubmed/37569520
http://dx.doi.org/10.3390/ijms241512144

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