[AlphaFold的发展及其在生物学和医学上的应用]。

Q3 Medicine
P H Niu, X J Ma, J Wang
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引用次数: 0

摘要

AlphaFold的出现催化了蛋白质结构预测的范式转变,通过其迭代进化重新定义了计算生物学的景观。AlphaFold的发展轨迹跨越了三个革命性的迭代:基础的AlphaFold原型,其革命性的继任者AlphaFold2,以及最近发布的AlphaFold3。AlphaFold2在2020年实现了一个巨大的飞跃,它引入了一个端到端深度学习架构,达到了原子级别的精度,果断地解决了几十年前的蛋白质折叠问题,其在CASP14(结构预测关键评估)上的前所未有的表现证明了这一点。在这个框架的基础上,AlphaFold3代表了一个进化飞跃,扩展了预测能力,可以模拟复杂的生物分子复合物,包括配体-蛋白质结合界面和核酸相互作用。这些进步已经开启了跨多个领域的变革性应用:在结构生物学中实现快速蛋白质组级结构注释,加速药物发现中的虚拟筛选管道,并促进新兴病毒学研究中的病毒蛋白质表征。然而,在模拟构象动力学和瞬态结合状态方面的持续限制强调了继续改进方法的必要性。本综合分析考察了推动AlphaFold进步的算法创新,评估了其多学科应用,并批判性地评估了当前的技术限制,为指导人工智能和分子生物科学交叉领域的未来发展提供了一个框架。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
[The development of AlphaFold and its applications in biology and medicine].

The emergence of AlphaFold has catalyzed a paradigm shift in protein structure prediction, redefining the landscape of computational biology through its iterative evolution. The developmental trajectory spans three transformative iterations: the foundational AlphaFold prototype, its revolutionary successor AlphaFold2, and the recently unveiled AlphaFold3. AlphaFold2 marked a quantum leap in 2020 by introducing an end-to-end deep learning architecture that achieved atomic-level accuracy, decisively solving the decades-old protein folding problem as demonstrated by its unprecedented performance at CASP14 (Critical Assessment of Structure Prediction). Building upon this framework, AlphaFold3 represents an evolutionary leap, expanding predictive capabilities to model intricate biomolecular complexes including ligand-protein binding interfaces and nucleic acid interactions.These advancements have unlocked transformative applications across multiple domains: enabling rapid proteome-scale structural annotations in structural biology, accelerating virtual screening pipelines in drug discovery, and facilitating viral protein characterization in emerging virology research. However, persistent limitations in modeling conformational dynamics and transient binding states underscore the need for continued methodological refinement. This comprehensive analysis examines the algorithmic innovations driving AlphaFold's progression, evaluates its multidisciplinary applications, and critically assesses current technical constraints-providing a framework to guide future developments at the intersection of artificial intelligence and molecular bioscience.

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来源期刊
中华预防医学杂志
中华预防医学杂志 Medicine-Medicine (all)
CiteScore
1.20
自引率
0.00%
发文量
12678
期刊介绍: Chinese Journal of Preventive Medicine (CJPM), the successor to Chinese Health Journal , was initiated on October 1, 1953. In 1960, it was amalgamated with the Chinese Medical Journal and the Journal of Medical History and Health Care , and thereafter, was renamed as People’s Care . On November 25, 1978, the publication was denominated as Chinese Journal of Preventive Medicine . The contents of CJPM deal with a wide range of disciplines and technologies including epidemiology, environmental health, nutrition and food hygiene, occupational health, hygiene for children and adolescents, radiological health, toxicology, biostatistics, social medicine, pathogenic and epidemiological research in malignant tumor, surveillance and immunization.
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