Shiying Yu

Biotechnology Research Center, Cuixi Academy of Biotechnology, Zhuji, 311800, China
Author    Correspondence author
Computational Molecular Biology, 2025, Vol. 15, No. 6   
Received: 01 Oct., 2025    Accepted: 11 Oct., 2025    Published: 02 Nov., 2025

This is an open access article published under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Computational vaccinology, as an emerging interdisciplinary subject integrating bioinformatics, immunology and systems biology, is profoundly transforming the vaccine research and development process. This study systematically reviews the key advancements in the field of computational vaccinology, covering theoretical foundations, core technologies, and practical application scenarios. It examines the background of the shift in vaccine development from traditional methods to computational strategies, and introduces genomic-based antigen screening methods (reverse vaccinology), epitope prediction algorithms, and the application of structural bioinformatics in antigen design The integrated application of immunoinformatics tools and databases was explored, especially the value of multi-omics data in refined antigen analysis. The practical value of computational vaccinology was demonstrated through multiple actual cases (such as AI-assisted COVID-19 vaccine development, multi-epitope vaccine design for tuberculosis and malaria, as well as tumor neoantigen prediction and clinical transformation). This study reveals the crucial role of computational vaccinology in enhancing the efficiency of vaccine development, reducing costs, responding to emerging infectious diseases, and achieving personalized immunization strategies. At the same time, it provides theoretical basis and technical prospects for the future construction of AI-driven automated vaccine platforms.

Computational vaccinology; Reverse vaccinology; Epitope prediction; Immune simulation; Vaccine design