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Andrielly H. S. Costa

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Open access Oct 2026

AutoHMD: Scalable and Accurate Validation of Antibody-Antigen Complexes by Heated Molecular Dynamics.

MOTIVATION Antibody-antigen (Ab-Ag) interactions are central to immune recognition and widely exploited in therapeutic design, making accurate structural characterization of these complexes a central challenge in the field. While docking and artificial intelligence-based approaches can generate multiple candidate bindi...

Júlia S. Souza, Aline O. Albuquerque, Diego Almeida et al. · 0 citations

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