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使用深度学习进行抗体设计:从序列和结构设计到亲和力成熟。

Antibody design using deep learning: from sequence and structure design to affinity maturation.

机构信息

Department of Computer Science, University of Pisa, Largo B. Pontecorvo, 3, 56127, Pisa, Italy.

Data Science for Health (DaScH) Lab, Fondazione Toscana Life Sciences, Via Fiorentina, 1, 53100, Siena, Italy.

出版信息

Brief Bioinform. 2024 May 23;25(4). doi: 10.1093/bib/bbae307.

Abstract

Deep learning has achieved impressive results in various fields such as computer vision and natural language processing, making it a powerful tool in biology. Its applications now encompass cellular image classification, genomic studies and drug discovery. While drug development traditionally focused deep learning applications on small molecules, recent innovations have incorporated it in the discovery and development of biological molecules, particularly antibodies. Researchers have devised novel techniques to streamline antibody development, combining in vitro and in silico methods. In particular, computational power expedites lead candidate generation, scaling and potential antibody development against complex antigens. This survey highlights significant advancements in protein design and optimization, specifically focusing on antibodies. This includes various aspects such as design, folding, antibody-antigen interactions docking and affinity maturation.

摘要

深度学习在计算机视觉和自然语言处理等领域取得了令人瞩目的成果,使其成为生物学领域的强大工具。它的应用现在涵盖了细胞图像分类、基因组研究和药物发现。虽然药物开发传统上侧重于小分子的深度学习应用,但最近的创新已经将其纳入生物分子,特别是抗体的发现和开发中。研究人员设计了新颖的技术来简化抗体的开发,结合了体外和计算方法。特别是,计算能力加快了针对复杂抗原的先导候选物的生成、规模化和潜在抗体的开发。本综述重点介绍了蛋白质设计和优化方面的重大进展,特别是针对抗体。这包括设计、折叠、抗体-抗原相互作用对接和亲和力成熟等各个方面。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/af9c/11221890/83f23fed687a/bbae307f1.jpg

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