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

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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Bibliographic Details
Main Authors: Josep-Ramon Codina, Marcello Mascini, Emre Dikici, Sapna K. Deo, Sylvia Daunert
Format: Article
Language:English
Published: MDPI AG 2023-07-01
Series:International Journal of Molecular Sciences
Subjects:
machine learning
small peptides
molecular docking
classification algorithms
Online Access:https://www.mdpi.com/1422-0067/24/15/12144

Internet

https://www.mdpi.com/1422-0067/24/15/12144

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