Protein prediction takes the prize

IF 19.2 1区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Nature chemistry Pub Date : 2024-12-02 DOI:10.1038/s41557-024-01699-3

Stacey Paiva

引用次数: 0

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蛋白质预测获奖

蛋白质的三维结构——由它的初级氨基酸序列决定——最终决定了它如何与其他分子相互作用，从而决定了它的功能，例如，它可以催化化学转化，运输分子或提供结构。直接从蛋白质的初级序列准确表征蛋白质的3D结构的能力可以帮助科学家预测其功能输出，并使配体的设计能够选择性地调节蛋白质活性。同样，能够设计具有选定功能的新蛋白质可能会提供新的生物工具和治疗方法，并作为生物材料的起点。蛋白质结构预测关键评估（CASP）是一个两年一度的全球竞赛，其目标是寻找预测蛋白质结构的解决方案。今年的所有获奖者都发表了自己的作品。DeepMind的AlphaFold的第一次迭代应用了一种称为“深度学习”的人工智能，利用遗传和结构数据来预测蛋白质中氨基酸对之间的距离。在预测准确性方面，第一个版本在2018年CASP13中表现优于其他版本，但在2020年CASP14中占据榜首位置的第二次迭代AlphaFold2才真正改变了游戏规则。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Nature chemistry 化学-化学综合

CiteScore

29.60

自引率

1.40%

发文量

226

审稿时长

1.7 months

期刊介绍： Nature Chemistry is a monthly journal that publishes groundbreaking and significant research in all areas of chemistry. It covers traditional subjects such as analytical, inorganic, organic, and physical chemistry, as well as a wide range of other topics including catalysis, computational and theoretical chemistry, and environmental chemistry. The journal also features interdisciplinary research at the interface of chemistry with biology, materials science, nanotechnology, and physics. Manuscripts detailing such multidisciplinary work are encouraged, as long as the central theme pertains to chemistry. Aside from primary research, Nature Chemistry publishes review articles, news and views, research highlights from other journals, commentaries, book reviews, correspondence, and analysis of the broader chemical landscape. It also addresses crucial issues related to education, funding, policy, intellectual property, and the societal impact of chemistry. Nature Chemistry is dedicated to ensuring the highest standards of original research through a fair and rigorous review process. It offers authors maximum visibility for their papers, access to a broad readership, exceptional copy editing and production standards, rapid publication, and independence from academic societies and other vested interests. Overall, Nature Chemistry aims to be the authoritative voice of the global chemical community.