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Integrating deep learning with physics based modeling enables high precision antibody antigen interface prediction

Abstract Accurate antibody-antigen (Ab-Ag) docking is hindered by CDR flexibility, discontinuous epitopes, and the absence of reliable binding-site restraints. This study presents a deep learning-augmented docking framework that integrates ParaDeep, a sequence-based paratope predictor, with the PyDo...

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Principais autores: Kanchanok Kodchakorn, Piyachat Udomwong, Thanathat Pamonsupornwichit, Thanyaluck Phitak, Chatchai Tayapiwatana
Format: Artigo
Sprog:Inglês
Udgivet: Nature Portfolio 2026-02-01
Serier:Scientific Reports
Fag:
Sequence-based paratope predictor
ParaDeep
PyDockWEB
Deep learning
Molecular docking
DockQ
Online adgang:https://doi.org/10.1038/s41598-026-39466-8
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